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benzene
pyrobenzole

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CAS Number: 71-43-2Picture of molecule3D/inchi
Other(deleted CASRN):174973-66-1
ECHA EINECS - REACH Pre-Reg:200-753-7
FDA UNII: J64922108F
Nikkaji Web:J2.375B
Beilstein Number:969212
MDL:MFCD00003009
XlogP3:2.10 (est)
Molecular Weight:78.11382000
Formula:C6 H6
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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US Patents:Search
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NCBI:Search
FDA Mainterm (SATF):71-43-2 ; BENZENE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.560 Modified hop extract.


FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.87400 @ 25.00 °C.
Melting Point: 5.00 to 6.00 °C. @ 760.00 mm Hg
Boiling Point: 80.00 to 81.00 °C. @ 760.00 mm Hg
Boiling Point: 11.00 to 12.00 °C. @ 50.00 mm Hg
Vapor Pressure:94.800000 mmHg @ 25.00 °C.
Flash Point: 12.00 °F. TCC ( -11.11 °C. )
logP (o/w): 2.130
Soluble in:
 alcohol
 water, 1790 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chevron Phillips
Benzene LTLD
Glentham Life Sciences
Benzene
LyondellBasell Industries
Benzene
Santa Cruz Biotechnology
For experimental / research use only.
Benzene 99%
Sigma-Aldrich
For experimental / research use only.
Benzene CHROMASOLV® Plus, for HPLC, ≥99.9%
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 930 mg/kg
BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology and Applied Pharmacology. Vol. 7, Pg. 767, 1965.

intraperitoneal-rat LD50 1.10 mg/kg
Acta Physiologica Polonica. Vol. 12, Pg. 173, 1961.

oral-mouse LD50 4700 mg/kg
Hygiene and Sanitation Vol. 32(3), Pg. 349, 1967.

intraperitoneal-mouse LD50 340 mg/kg
Annals of the New York Academy of Sciences. Vol. 243, Pg. 104, 1975.

oral-dog LDLo 2000 mg/kg
"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1313, 1935.

intraperitoneal-guinea pig LDLo 527 mg/kg
"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 42, 1955.

oral-mammal (species unspecified) LD50 5700 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.

intraperitoneal-mammal (species unspecified) LDLo 1500 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: IRRITABILITY PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
American Journal of Hygiene. Vol. 7, Pg. 276, 1927.

oral-man LDLo 50 mg/kg
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 883, 1980.

unreported-man LDLo 194 mg/kg
"Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.

intravenous-rabbit LDLo 88 mg/kg
SENSE ORGANS AND SPECIAL SENSES: HEMORRHAGE: EYE PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE GASTROINTESTINAL: GASTRITIS
Journal of Toxicology and Environmental Health. Vol. (Suppl

intraperitoneal-rat LD50 1100 ug/kg
Acta Physiologica Polonica. Vol. 12, Pg. 173, 1961.

Dermal Toxicity:
skin-rabbit LD50 > 9400 ul/kg
Toxicology and Applied Pharmacology. Vol. 7, Pg. 559, 1965.

skin-mouse LD50 48 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 5, 1974.

subcutaneous-frog LDLo 1400 mg/kg
"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1313, 1935.

skin-guinea pig LD50 > 9400 uL/kg
Toxicology and Applied Pharmacology. Vol. 7, Pg. 559, 1965.

Inhalation Toxicity:
inhalation-rat LC50 10000 ppm/7H
"Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 113, 1960.

inhalation-rabbit LC50 45000 ppm/30M
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944.

inhalation-mouse LC50 9980 ppm
BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 366, 1943.

inhalation-cat LCLo 170000 mg/m3
"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 324, 1955.

inhalation-dog LCLo 146000 mg/m3
"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 324, 1955.

inhalation-human LCLo 65 mg/m3/5Y
BLOOD: OTHER CHANGES
Archiv fuer Geschwulstforschung. Vol. 44, Pg. 145, 1974.

inhalation-human LCLo 2 pph/5M
Tabulae Biologicae. Vol. 3, Pg. 231, 1933.

inhalation-human TCLo 100 ppm
SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: NAUSEA OR VOMITING
Industrial Medicine. Vol. 17, Pg. 199, 1948.

inhalation-mammal (species unspecified) LCLo 20000 ppm/5M
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 138, Pg. 65, 1928.

inhalation-man TCLo 150 ppm/1Y-I
BLOOD: OTHER CHANGES
Blut. Vol. 28, Pg. 293, 1974.

inhalation-rabbit LCLo 45000 ppm/30M
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944.

 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
IFRA Critical Effect:
Carcinogenicity
IFRA fragrance material specification:
 

The level of benzene has to be kept as low as practicable and should never exceed 1 ppm in the fragrance compound.

Since the introduction of the original restriction on the use of benzene by IFRA in 1988, there have been significant changes in manufacturing practices that permit the reduction of the maximum permitted level of this substance. These include use of technological improvements allowing replacement of this solvent for the extraction of fragrance materials and in eliminating its presence as an impurity in alternative extraction solvents.

 View the IFRA Standard
Recommendation for benzene usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Recommendation for benzene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA-Iris:IRIS
ClinicalTrials.gov:search
Daily Med:search
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):71-43-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :241
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1114
WGK Germany:3
benzene
Chemidplus:0000071432
EPA/NOAA CAMEO:hazardous materials
RTECS:71-43-2
 
References:
 benzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:71-43-2
Pubchem (cid):241
Pubchem (sid):134972141
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
UM BBD:Search
KEGG (GenomeNet):C01407
HMDB (The Human Metabolome Database):HMDB01505
FooDB:FDB012843
Export Tariff Code:2902.20.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 bean black bean stem oil
Search Trop Picture
 guava fruit
Search Trop Picture
 lovage root
Search Trop Picture
 not found in nature
 safflower flower
Search Trop Picture
 
Synonyms:
 benzinum
 benzole
 carbon oil
 coal naphtha
 cyclohex-1,3,5-triene
 cyclohexatriene
1,3,5-cyclohexatriene
 phenyl hydride
 pyrobenzol
 pyrobenzole
 
 
Notes:
toxic, volatile, flammable liquid hydrocarbon byproduct of coal distillation. it is used as an industrial solvent in paints, varnishes, lacquer thinners, gasoline, etc. benzene causes central nervous system damage acutely and bone marrow damage chronically and is carcinogenic. it was formerly used as parasiticide. Used in processing of modified hop extract Benzene occurs sufficiently often as a component of organic molecules that there is a Unicode symbol in the Miscellaneous Technical block with the code U+232C (?) to represent it with three double bonds, and U+23E3 (?) for a delocalized version.; Benzene, or benzol, is an organic chemical compound the molecular formula C6H6. It is sometimes abbreviated Ph?H. Benzene is a colorless and highly flammable liquid with a sweet smell and a relatively high melting point. Because it is a known carcinogen, its use as an additive in gasoline is now limited, but it is an important industrial solvent and precursor in the production of drugs, plastics, synthetic rubber, and dyes. Benzene is a natural constituent of crude oil, and may be synthesized from other compounds present in petroleum. Benzene is an aromatic hydrocarbon and the second [n]-annulene (-annulene), a cyclic hydrocarbon with a continuous pi bond.; Human exposure to benzene is a global health problem. Benzene targets liver, kidney, lung, heart and the brain and can cause DNA strand breaks, chromosomal damage etc. Benzene causes cancer in both animals and humans. Benzene was first reported to induce cancer in humans in the 1920s. The chemical industry claims it wasn't until 1979 that the cancer inducing properties were determined "conclusively" in humans, despite many references to this fact in the medical literature. Industry exploited this "discrepancy" and tried to discredit animal studies which showed benzene caused cancer saying that they weren't relevant to humans. Benzene has been shown to cause cancer in both sexes of multiple species of laboratory animals exposed via various routes.; In catalytic reforming, a mixture of hydrocarbons with boiling points between 60?200 °C is blended with hydrogen gas and then exposed to a bifunctional platinum chloride or rhenium chloride catalyst at 500?525 °C and pressures ranging from 8?50 atm. Under these conditions, aliphatic hydrocarbons form rings and lose hydrogen to become aromatic hydrocarbons. The aromatic products of the reaction are then separated from the reaction mixture (or reformate) by extraction with any one of a number of solvents, including diethylene glycol or sulfolane, and benzene is then separated from the other aromatics by distillation. The extraction step of aromatics from the reformate is designed to produce aromatics with lowest non-aromatic components. So-called "BTX (Benzene-Toluene-Xylenes)" process consists of such extraction and distillation steps. One such widely used process from UOP was licensed to producers and called the Udex process.; Several tests can determine exposure to benzene. There is a test for measuring benzene in the breath; this test must be done shortly after exposure. Benzene can also be measured in the blood; however, because benzene disappears rapidly from the blood, measurements are accurate only for extremely recent exposures. Benzene exposure should always be minimized.; The new understanding of benzene, and hence of all aromatic compounds, proved to be so important for both pure and applied chemistry that in 1890 the German Chemical Society organized an elaborate appreciation in Kekulé's honor, celebrating the twenty-fifth anniversary of his first benzene paper. Here Kekulé spoke of the creation of the theory. He said that he had discovered the ring shape of the benzene molecule after having a reverie or day-dream of a snake seizing its own tail (this is a common symbol in many ancient cultures known as the Ouroboros). This vision, he said, came to him after years of studying the nature of carbon-carbon bonds. This was 7 years after he had solved the problem of how carbon atoms could bond to up to four other atoms at the same time. It is curious that a similar, humorous depiction of benzene had appeared in 1886 in the Berichte der Durstigen Chemischen Gesellschaft (Journal of the Thirsty Chemical Society), a parody of the Berichte der Deutschen Chemischen Gesellschaft, only the parody had monkeys seizing each other in a circle, rather than snakes as in Kekulé's anecdote. Some historians have suggested that the parody was a lampoon of the snake anecdote, possibly already well-known through oral transmission even if it had not yet appeared in print. Others have speculated that Kekulé's story in 1890 was a re-parody of the monkey spoof, and was a mere invention rather than a recollection of an event in his life. Kekulé's 1890 speech in which these anecdotes appeared has been translated into English. If one takes the anecdote as the memory of a real event, circumstances mentioned in the story suggest that it must have happened early in 1862.; Toxic, volatile, flammable liquid hydrocarbon biproduct of coal distillation. Chronic benzene exposure produces hematotoxicity, bone marrow dysplasia (Displasia is a pre-neoplastic or pre-cancerous change). (PMID 16183116). ; It is used as an industrial solvent in paints, varnishes, lacquer thinners, gasoline, etc. Benzene causes central nervous system damage acutely and is carcinogenic. It was formerly used as parasiticide.; Trace amounts of benzene may result whenever carbon-rich materials undergo incomplete combustion. It is produced in volcanoes and forest fires, and is also a component of cigarette smoke. Benzene is a principal component of combustion products produced by the burning of PVC (polyvinyl chloride).
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