It has a role as an Escherichia coli metabolite, a plant metabolite and an allergen. 076 atm-cu m/mole (SRC) from its experimental values for vapor pressure, 1. Ethylbenzene | C8H10 | CID 7500 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more. 0 + or - 1. 2 Regulatory Information. Benzene, 1-(1,5-dimethyl-4-hexenyl)-2-methyl- | C15H22 | CID 10726817 - structure, chemical names, physical and chemical properties, classification, patents To determine if a hydroxylated mercapturate is produced in vivo, we treated male Sprague-Dawley rats with either benzene (600 mg/kg), phenol (75 mg/kg), or hydroquinone (75 mg/kg) and collected the urine for 24 hr. Molecular Weight. Very irritating to skin, eyes and mucous membranes. Used as an insecticide, larvacide and as a reagent for plastic or resin polymers. Isobutylbenzene is a natural product found in Vaccinium virgatum, Vaccinium ashei, and other organisms with data available. C6H6 MeCN. Tumori. 0 license, unless otherwise stated. It is a conjugate base of a 4-carboxyanilinium. Benzene, 1,3,5-triethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. ChEBI. Flash point 5 °F. 119. Search chemicals by name, molecular formula, structure, and other identifiers. 21 Plant Concentrations. 1,3,5-Trimethoxybenzene is a natural product found in Pulicaria laciniata, Croton lechleri, and other Benzene, diethenyl-, homopolymer. 1,3-difluorobenzene is a difluorobenzene carrying fluoro groups at positions 1 and 3. 95(1):8-12, January-February 2009. Bromobenzene is the simplest member of the class of bromobenzenes, that is benzene in which a single hydrogen has been substituted by a bromine. Melting point 63-64 °C (145-147 °F). The major excretory pathway was via the feces. Organic Chemistry Molecules. 09 g/mol. Acute (short- term) dermal exposure to 4-dimethylaminoazobenzene may result in contact dermatitis in humans. 4- (dimethylamino)azobenzene is a member of azobenzenes. New Zealand EPA Inventory of Chemical Status. The Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4. Benzene is a colourless liquid with a characteristic odour and is primarily used in the production of polystyrene. Exposure to benzene and risk of breast cancer among shoe factory workers in Italy. Phenol nomenclature and with other important benzene derivatives are … 4-aminobenzoic acid is an aminobenzoic acid in which the amino group is para to the carboxy group. Modify: 2024-07-13. Oct 14, 2021 · 1-Methyl-4-(prop-1-en-2-yl)benzene is a natural product found in Camellia sinensis, Citrus reticulata, and other organisms with data available. The yield of cumene is 97% based on benzene and 90% based on propene. 14) Property Name. m-Xylene | C6H4(CH3)2 or C8H10 | CID 7929 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities 2024-07-06. Phloroglucinol is a benzenetriol with hydroxy groups at position 1, 3 and 5. It is a phenolic donor and a benzenetriol. 1,4-benzoquinone is the simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. (trifluoromethyl)benzene is a fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. 1,2-Dichlorobenzene has been detected at unspecified concns in the roots of wheat plants grown from lindane -treated seeds (1). 14) Component Compounds. It has been found to be a biomarker of flavonoid consumption in humans. 1,2,3,4-Tetramethylbenzene is a natural product found in Ceratophyllum demersum with data available. All of the carbon-carbon bonds have exactly the same lengths - somewhere between single and double bonds. The Henry's Law constant for decylbenzene is estimated as 0. 6% (mean + or - SE, n= 4), respectively, of the Resorcinol is a 1,3-isomer (or meta-isomer) of benzenediol with the formula C6H4(OH)2. This is a three-dimensional rendering of benzene. (Trifluoromethoxy)benzene | C7H5F3O | CID 68010 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological Benzenehexol | C6H6O6 | CID 69102 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety 1,2-phenylenediamine appears as colorless monoclinic crystals if pure; technical grade brownish-yellow crystals or a sandy brown solid. No information is available on the chronic (long-term), reproductive, developmental CCZero. Description. It has a role as a solvent, an environmental contaminant and a NMR chemical shift reference compound. 1,2-Dichlorobenzene was identified, not quantified, in plant material grown in an Illinois coal refuse reclamation site (2). Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is (2-Methoxyethyl)benzene | C9H12O | CID 19089 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities Oct 14, 2021 · (1,1-Dimethylbutyl)benzene | C12H18 | CID 16136 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological Apr 2, 2024 · ANSI Z37. Benzene, (1-propylheptyl)- | C16H26 | CID 20658 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more. Acute oral toxicity was evaluated in groups of 10 ChR-CD male rats administered a single dose of tert-butyl-benzene by oral gavage at dose levels of 3000, 3400 and 3800 mg/kg body weight. 2 and 81. 2004-09-16. The six carbon atoms form a perfectly regular hexagon. It is a conjugate acid of a 4-aminobenzoate. Failed to load structure from its database. Mesitylene is a natural product found in Ferulago nodosa, Carica papaya, and Lepidium meyenii with data available. The batch reaction of benzene with a 2. Used to make dyes and other chemicals. Mortality was observed in one rat at 3000 mg/kg, 2 rats at 3400 mg/kg and 9 rats at 3800 mg/kg body weight; the LD50 value was calculated to be 3503 mg/kg 1,4-Dibromobenzene | C6H4Br2 | CID 7804 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities May 7, 2021 · Data covered by the Standard Reference Data Act of 1968 as amended. May irritate the skin, eyes, and mucous membranes. Prehnitene is a tetramethylbenzene that consists of benzene substituted by methyl groups at positions 1, 2, 3 and 4. It is a conjugate base of a benzenesulfonic acid. A liquid at room temperature (m. SNZXMAHBUQXQSE-UHFFFAOYSA-N. 2024-07-13. PubChem is the world's largest collection of freely accessible chemical information. CAMEO Chemicals. (trichloromethyl)benzene is an organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines. To clarify the carcinogenic mechanism of catechol, we investigated DNA damage using human cultured cell lines and 32P-labeled DNA fragments obtained from the human p53 and p16 tumor suppressor genes and the c-Ha-ras-1 proto-oncogene. Computed by PubChem 2. Benzene, (1,2-dibromoethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. 1,2,3-trichlorobenzene is a trichlorobenzene carrying chloro substituents at positions 1, 2 and 3. 35 (1) and a regression-derived equation (2). (But-3-en-1-yn-1-yl)benzene | C10H8 | CID 11007918 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more. This Henry's Law constant indicates that decylbenzene is expected to volatilize rapidly from water surfaces (3). 3 hr, while the elimination half-life was 58. LOTUS - the natural products occurrence database 1 Structures Hydroxytyrosol is a member of the class of catechols that is benzene-1,2-diol substituted by a 2-hydroxyethyl group at position 4. Topological Polar Surface Area. Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is 8. Vapors heavier than air. In addition, catechol is a major metabolite of carcinogenic benzene. It is used as an antiseptic and disinfectant in topical pharmaceutical products in the treatment of skin disorders and infections such as acne, seborrheic dermatitis, eczema, psoriasis, corns, calluses, and warts. Ji Z, et al. The chemical was readily absorbed and evidence indicates that the lymphatic system was involved in the absorption process. It is highly toxic and is a known carcinogen; exposure to it may cause leukemia. Modify: 2024-07-06. It has a role as an algal metabolite. The extent of in vivo enzymatic activation of brominated compounds was higher than that of chlorinated chemicals. Create: 2005-03-26. Costatini AS, et al. 4, Acceptable Concentrations of Benzene. Used in manufacture of dyes, photography, organic synthesis. A maximum dichlorobenzene yield of 98% is obtainable in a batch process in which 2 mol of chlorine per mol of benzene are reacted in the presence of ferric chloride and sulfur monochloride at mild temperatures. Phloroglucinol has been used in trials studying the diagnostic of Colonoscopy. On the event of Grignard Reaction, Grignard reagent is added to a ketone or aldehyde, to form a tertiary or secondary alcohol, respectively. May emit toxic fumes when heated to high temperatures. It has a role as a biomarker and a human xenobiotic metabolite. (1) Hansch C et al; Exploring QSAR. Chemistry in Context December 2, 2019. Source: PubChem. Benzene, 1,4-diethynyl-, homopolymer. Lindane can be prepared from benzene and chlorine by photochlorination. About the same density as water. 8-fold molar quantity of chlorine in the presence of ferric chloride at temperatures increasing to 100 °C gives a chlorination mixture consisting of 26% 1,4-dichlorobenzene, 4. Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is Grignard reagents is basically an organomagnesium halide having a formula of RMgX where X is a halogen, and R is an alkyl or aryl (based on a benzene ring) group. Isolated from Olea europaea, it exhibits antioxidant and antineoplastic activities. It has a role as a carcinogenic agent. 14) Benzene, (methoxymethyl)-: Does not have an individual approval but may be used under an appropriate group CAMEO Chemicals. Topological Polar (3-Bromopropoxy)benzene | C9H11BrO | CID 68522 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological A skin and strong eye irritant; Harmful by ingestion; May cause allergic reactions in sensitive individuals; [Sigma-Aldrich MSDS] Search for (637-59-2[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See (2-Bromoethyl)benzene and Benzyl bromide. 5% 1,2-dichlorobenzene, 48% 1,2,4-trichlorobenzene, 8% 1,2,3-trichlorobenzene, 8% 1,2,3,4-tetrachlorobenzene, 5. 2. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. Benzenesulfonyl chloride appears as a colorless to slightly yellow solid that melts at approximately 40 °F. 28X10-3 mm Hg (1), and water solubility, 2. Fluorobenzene appears as a clear, colorless liquid with a characteristic aromatic odor. Insoluble in water and denser than water. Click on the structure to rotate it and view it from various angles. Dec 2, 2019 · 3D Model of Benzene. The resulting benzene hexachloride consists of isomers of which only the gamma-isomer (lindane) is desired, and is obtained by treatment of the reaction mixture with methanol or acetic acid, in which only the alpha and beta isomers dissolve readily. Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is Pure propene or propene with a propane content greater than or equal to 5% is used as raw material, together with benzene (minimum purity 99. CID 6342 (Acetonitrile) Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is Isobutylbenzene is an alkylbenzene that is benzene carrying an isobutyl substituent. Find chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations and more. Characterization and chemical composition of the nano particle was performed by Fourier benzene-1,2-dicarboxylic acid ; View More Molecular Weight. According to a classification scheme (3), this estimated Koc value suggests that beta-methyl styrene is expected to have low mobility in soil (SRC). 760 156℃), it is used as a solvent, particularly for large-scale crystallisations, and for the introduction of phenyl groups in organic synthesis. 4-Dimethylaminoazobenzene is used as a dye for coloring polishes, wax products, and soap. The reaction with formaldehyde leads to a [Bis(trifluoroacetoxy)iodo]benzene | C10H5F6IO4 | CID 102317 - structure, chemical names, physical and chemical properties, classification, patents, literature Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is Benzene, methoxy- Methyl phenyl ether ; View More Molecular Weight. 40X10-3 mg/l (2). In rats receiving (14)C benzyl chloride in corn oil by gavage, the peak plasma level was reached after 30 min. 5 hr. 1,2,3-trichlorobenzene appears as a white solid with a sharp chlorobenzene odor. -30℃; b. LOTUS - the natural products occurrence database. Signs of toxicity included reduction in ambulatory motion, ataxia, weakness, dyspnea, rapid heartbeat, cyanosis, coma & respiratory failure. Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is (Allylthio)benzene | C9H10S | CID 79180 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities 1,3,5-trimethoxybenzene is a methoxybenzene carrying methoxy groups at positions 1, 3 and 5. 1,3-Bis(trichloromethyl)benzene | C8H4Cl6 | CID 13434 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological When 1,3-dinitrobenzene was given to rats orally as a 1% suspension in corn oil, the LD50 was 83 mg/kg with fiducial limits 56-124 mg/kg. It is not approved for use as a chemical in its own right. SCHEMBL1039544. 1,3-Dibromobenzene | C6H4Br2 | CID 7927 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities Heptylbenzene | C13H20 | CID 14115 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety Jul 26, 2022 · This section focuses on naming benzene derivatives and the important distinction between a phenyl group and a benzyl group. Oct 14, 2021 · Benzene;hexachloride | C6H6Cl6-6 | CID 21941241 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological Methyl benzenesulfonate | C7H8O3S | CID 6630 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities 12. Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is Benzene-1,3,5-tricarboxylate | C9H3O6-3 | CID 5460732 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological 1,4-Bis(bromomethyl)benzene | C8H8Br2 | CID 69335 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological Oct 14, 2021 · Causes degenerative changes to brain and changes in erythrocyte count in 153-day intermittent oral studies of rats; [RTECS] No mortality observed in acute inhalation lethal-concentration study at the highest concentration possible (from heating to 329 degrees C); Not irritating to skin or eyes of rabbits; Increased liver weight and hepatocytes hypertrophy observed in repeated-dose dermal study Hexylbenzene | C12H18 | CID 14109 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety Computed by PubChem 2. It is used as an intermediate in organic synthesis and dye chemistry. 1,3-Dibutylbenzene | C14H22 | CID 204985 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more. HPLC coupled with electrochemical detection confirmed the presence of a metabolite that was chromatographically and Oct 14, 2021 · Benzene ethanol | C8H12O | CID 21965192 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities This fiber was successfully applied to extract and determine the ultra-trace levels of benzene, toluene, ethyl benzene and o-xylene in human hair using head space-solid-phase microextraction (HS-SPME) coupled to gas chromatography-flame ionization detector. 5%) in up to 12-fold molar excess; this leads to high distillation costs in the product work-up. 1,2-Bis(trimethylsilyl)benzene | C12H22Si2 | CID 519794 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological 1,3,5-Triisopropylbenzene | C15H24 | CID 12860 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological 1,3,5-trimethylbenzene is a trimethylbenzene carrying methyl substituents at positions 1, 3 and 5. 2 (PubChem release 2021. The cmpd was equally toxic in both sexes. 0 + or - 0. 5% 1,2,4,5 4-(2-Amino-1-hydroxyethyl)benzene-1,2-diol is a natural product found in Homo sapiens and Solanum melongena with data available. 1,2-phenylenediamine is a phenylenediamine in which the two amino groups are ortho to each other. Comparison of aneuploidies of chromosomes 21, X, and Y in the blood lymphocytes and sperm of workers exposed to benzene. (2-Nitroethyl)benzene is a natural product found in Aniba canelilla with data available. 14) Dates. The distribution half-life was 1. Oct 14, 2021 · acetonitrile benzene. LOTUS - the natural products occurrence database Norepinephrine , DL- is a synthetic phenylethylamine that mimics the sympathomimetic actions of the endogenous norepinephrine . It is functionally related to a benzoic acid. 5 mg/kg of (14)c-pentachlorobenzene were given to male and female rhesus monkeys. (Dibromomethyl)benzene | C7H6Br2 | CID 69249 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities Used to make dyes and other chemicals. 16 g/mol. Hence sinks in water. The binding of epichlorohydrin, 1,2-dichloroethane, 1,2-dibromoethane, chlorobenzene, bromobenzene, and benzene to nucleic acid and proteins of different murine organs was studied in in vivo and in vitro systems. 1,4-Diisopropylbenzene | C12H18 | CID 7486 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities Computed by PubChem 2. Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is 1,3-Bis(trifluoromethyl)benzene | C8H4F6 | CID 223106 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological (Triethoxymethyl)benzene | C13H20O3 | CID 74268 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological Oct 14, 2021 · Benzene oxide | C6H6O | CID 104944 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety Benzene, C 6 H 6, is a planar molecule containing a ring of six carbon atoms, each with a hydrogen atom attached. 114. A skin, eye, and respiratory tract irritant; Inhalation of high concentrations can cause CNS depression; [HSDB] A skin, eye, and respiratory tract irritant; May cause chemical pneumonitis after aspiration; Defats the skin; May have effects on the central nervous system and blood; [ICSC] Reported blood dycrasias in chronically exposed workers Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is The metabolism of radiolabeled dinitrobenzene isomers was compared in hepatocytes and hepatic subcellular fractions isolated from male Fischer-344 rats. (2-Bromopropyl)benzene | C9H11Br | CID 102754 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. It is a fluorohydrocarbon and a member of (trifluoromethyl)benzenes. It is a metabolite of benzene. p. It has a role as a cofactor, a human xenobiotic metabolite and a mouse metabolite. 10. . The remainder of the product consists of mono- and trichlorobenzene. The Koc of beta-methyl styrene is estimated as 1,600 (SRC), using a log Kow of 3. Under aerobic conditions, reduction was the major metabolic pathway for m- and p-dinitrobenzene in hepatocytes with m- and p-nitroaniline accounting for 74. 14) Benzene, 1,2-dimethoxy-4-nitro-: Does not have an individual approval but may be used under an appropriate Hazardous Substances Data Bank (HSDB) Single oral doses of 0. Benzenesulfonate is the simplest of the class of benzenesulfonates, in which the benzene nucleus carries no other substituents. Jul 4, 2024 · benzene (C6H6), simplest organic, aromatic hydrocarbon and parent compound of numerous important aromatic compounds. ht sk ey hy yw qm xm iy kl av