Benzene - PubChem Compound Summary

Benzene

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COMPOUND

Benzene

PubChem CID 241

Structure

Primary Hazards

Laboratory Chemical Safety Summary (LCSS) Datasheet

Molecular Formula

C6H6

Synonyms

benzene benzol 71-43-2 Cyclohexatriene benzole View More...

Molecular Weight

78.11 g/mol Computed by PubChem 2.2 (PubChem release 2025.09.15)

Dates

Create: 2004-09-16 Modify: 2026-04-04

Description

Benzene is a colorless liquid with a sweet odor. It evaporates into the air very quickly and dissolves slightly in water. It is highly flammable and is formed from both natural processes and human activities. Benzene is widely used in the United States; it ranks in the top 20 chemicals for production volume. Some industries use benzene to make other chemicals which are used to make plastics, resins, and nylon and synthetic fibers. Benzene is also used to make some types of rubbers, lubricants, dyes, detergents, drugs, and pesticides. Natural sources of benzene include volcanoes and forest fires. Benzene is also a natural part of crude oil, gasoline, and cigarette smoke. Agency for Toxic Substances and Disease Registry (ATSDR) Benzene can cause cancer according to California Labor Code. It can cause developmental toxicity and male reproductive toxicity according to an independent committee of scientific and health experts. California Office of Environmental Health Hazard Assessment (OEHHA) Benzene appears as a clear colorless liquid with a petroleum-like odor. Flash point less than 0 °F. Less dense than water and slightly soluble in water. Hence floats on water. Vapors are heavier than air. CAMEO Chemicals View More... See also: L-Trans (FDA NDC: 64616-095) (component of); Benzene, toluene and xylene (component of); Industriox 6011 (FDA NDC: 63083-6011) (component of) ... View More ...

1 Structures

1.1 2D Structure

Structure Search Get Image Download Coordinates Chemical Structure Depiction Full screen Zoom in Zoom out PubChem

1.2 3D Conformer

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1.3 Crystal Structures

1 of 15 items View All

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzene Computed by Lexichem TK 2.9.3 (PubChem release 2025.09.15) PubChem

2.1.2 InChI

InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H Computed by InChI 1.07.4 (PubChem release 2025.09.15) PubChem

2.1.3 InChIKey

UHOVQNZJYSORNB-UHFFFAOYSA-N Computed by InChI 1.07.4 (PubChem release 2025.09.15) PubChem

2.1.4 SMILES

C1=CC=CC=C1 Computed by OEChem 4.2.0 (PubChem release 2025.09.15) PubChem

2.2 Molecular Formula

C6H6 Computed by PubChem 2.2 (PubChem release 2025.09.15) Australian Industrial Chemicals Introduction Scheme (AICIS); CAMEO Chemicals; PubChem C6H6 ILO-WHO International Chemical Safety Cards (ICSCs)

2.3 Other Identifiers

2.3.1 CAS

71-43-2 Australian Industrial Chemicals Introduction Scheme (AICIS); CAMEO Chemicals; CAS Common Chemistry; ChemIDplus; DTP/NCI; EFSA OpenFoodTox; EPA Acute Exposure Guideline Levels (AEGLs); EPA Chemical Data Reporting (CDR); EPA Chemicals under the TSCA; EPA DSSTox; EPA Integrated Risk Information System (IRIS); EPA Provisional Peer-Reviewed Toxicity Values (PPRTVs); European Chemicals Agency (ECHA); FDA Global Substance Registration System (GSRS); Hazardous Substances Data Bank (HSDB); Human Metabolome Database (HMDB); ILO-WHO International Chemical Safety Cards (ICSCs); New Zealand Environmental Protection Authority (EPA); NJDOH RTK Hazardous Substance List; Occupational Safety and Health Administration (OSHA); Risk Assessment Information System (RAIS); The National Institute for Occupational Safety and Health (NIOSH) 26181-88-4 ChemIDplus

2.3.2 Related CAS

25053-22-9 Compound: Benzene, homopolymer CAS Common Chemistry 6842-25-7 Compound: Benzene, dimer CAS Common Chemistry View More...

2.3.3 Deprecated CAS

1053658-43-7, 1173023-23-8, 174973-66-1, 54682-86-9 ChemIDplus; EPA Chemicals under the TSCA 174973-66-1, 54682-86-9 EPA DSSTox

2.3.4 European Community (EC) Number

200-753-7 European Chemicals Agency (ECHA)

2.3.5 UNII

J64922108F FDA Global Substance Registration System (GSRS)

2.3.6 UN Number

1114 CAMEO Chemicals; Emergency Response Guidebook (ERG); ILO-WHO International Chemical Safety Cards (ICSCs); The National Institute for Occupational Safety and Health (NIOSH); US Code of Federal Regulations, Hazardous Materials, 49 CFR Part 172

2.3.7 ChEBI ID

CHEBI:16716 ChEBI

2.3.8 ChEMBL ID

CHEMBL277500 ChEMBL

2.3.9 DSSTox Substance ID

DTXSID3039242 EPA DSSTox

2.3.10 HMDB ID

HMDB0001505 Human Metabolome Database (HMDB)

2.3.11 HTS Number

2902.20.00.00 USITC Harmonized Tariff Schedule

2.3.12 ICSC Number

0015 ILO-WHO International Chemical Safety Cards (ICSCs)

2.3.13 KEGG ID

C01407 KEGG

2.3.14 Metabolomics Workbench ID

37835 Metabolomics Workbench

2.3.15 NCI Thesaurus Code

C302 NCI Thesaurus (NCIt)

2.3.16 Nikkaji Number

J1.749.610G Japan Chemical Substance Dictionary (Nikkaji) J2.375B Japan Chemical Substance Dictionary (Nikkaji)

2.3.17 NSC Number

NSC67315 DTP/NCI

2.3.18 PharmGKB ID

PA451991 PharmGKB

2.3.19 RTECS Number

CY1400000 The National Institute for Occupational Safety and Health (NIOSH) DE3030000 The National Institute for Occupational Safety and Health (NIOSH)

2.3.20 Wikidata

Q2270 Wikidata

2.3.21 Wikipedia

Benzene Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

Benzene Benzol Benzole Cyclohexatriene Medical Subject Headings (MeSH)

2.4.2 Depositor-Supplied Synonyms

benzene benzol 71-43-2 Cyclohexatriene benzole Pyrobenzole Benzine Coal naphtha Pyrobenzol Benzen Phene Phenyl hydride Mineral naphtha Benzolene Bicarburet of hydrogen Motor benzol Benzeen Benzolo Fenzen (6)Annulene [6]Annulene Nitration benzene Benzol 90 NCI-C55276 1,3,5-cyclohexatriene Benzine (Obs.) Rcra waste number U019 Benzin (Obs.) Benzinum DTXSID3039242 CHEBI:16716 AI3-00808 NSC-67315 DTXCID20135 J64922108F NSC67315 RefChem:6619 HEADACHE INSOMNIA 200-753-7 Benzin NSC 67315 UN 1114 C6H6 CHEMBL277500 MFCD00003009 54682-86-9 phenylmanganese iodide Benzeen [Dutch] Benzen [Polish] Fenzen [Czech] Benzolo [Italian] BNZ Caswell No. 077 Benzene 100 microg/mL in Methanol Benzene, ACS reagent, >=99.0% Benzene, pure CCRIS 70 25053-22-9 HSDB 35 62485-97-6 EINECS 200-753-7 benzene,iodomanganese(1+) EPA Pesticide Chemical Code 008801 Benzolum Benzene (including benzene from gasoline) p-benzene benzene- 26181-88-4 1hyz 1swi UNII-J64922108F [6]-annulene Benzene ACS Grade Benzene HPLC grade Benzene, for HPLC {[6]Annulene} Ph-H 2z9g 4i7j BENZENE [VANDF] BENZINUM [HPUS] BENZENE [HSDB] BENZENE [IARC] BENZENE (BENZOL) BENZENE [MI] BENZENE [MART.] Benzene, labeled with carbon-14 and tritium WLN: RH BENZENE [USP-RS] BENZENE [WHO-DD] SCHEMBL194 SCHEMBL707 22 - BTEX in Soil Benzenesulfonic Impurity 1 Epitope ID:116867 Benzene, purification grade EC 200-753-7 SCHEMBL3052 Benzene, analytical standard 5 - VOCs Benzene, LR, >=99% SCHEMBL28548 SCHEMBL32072 ghl.PD_Mitscher_leg0.503 Benzene, anhydrous, 99.8% SCHEMBL139666 SCHEMBL184914 SCHEMBL496457 SCHEMBL974264 SCHEMBL1173135 SCHEMBL1173825 SCHEMBL1174221 SCHEMBL2025760 Benzene, AR, >=99.5% 34J - WFD J 3,4-DNH 1l83 220l 223l 7 - VOCs (Perkin Elmer tubes) Benzene 10 microg/mL in Methanol trans-N-Methylphenylcyclopropylamine Benzene 20 microg/mL in Triacetin Benzene, for HPLC, >=99.8% Benzene, for HPLC, >=99.9% Tox21_202487 BDBM50167939 MSK001098 STL264205 Benzene 5000 microg/mL in Methanol Benzene, purum, >=99.0% (GC) 18C - Benzenes, Toluene and Xylenes AKOS008967253 EBC-431052 MSK001098-100M Benzene(Discontinued,See C4X-15581) Benzene, SAJ first grade, >=99.0% CAS-71-43-2 ACETONE IMPURITY C [EP IMPURITY] Benzene [UN1114] [Flammable liquid] Benzene Solution in Methanol, 100ug/mL Benzene, JIS special grade, >=99.5% erythro-Phenyl-2-piperidyl-carbinol,(-) NCGC00090744-01 NCGC00090744-02 NCGC00163890-01 NCGC00163890-02 NCGC00260036-01 trans-N, N-Dimethylphenylcyclopropylamine Cc-34,(+/-) RNG 12A. - VOCs - Carbopack X sorbent tubes Benzene Content (Nominal: 0.62% Volume) DS-002542 B0020 NS00009783 Q0038 Q2270 Benzene 30 microg/mL in N,N-Dimethylacetamide Benzene, ACS spectrophotometric grade, >=99% C01407 Benzene, ReagentPlus(R), thiophene free, >=99% InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6 12 - VOCs - Tenax TA sorbent tubes (Perkin Elmer) Benzene, puriss. p.a., Reag. Ph. Eur., >=99.7% Q26841227 BIPERIDEN HYDROCHLORIDE IMPURITY F [EP IMPURITY] Biperiden EP Impurity F; Isopropyl Alcohol EP Impurity B Benzene, Pharmaceutical Secondary Standard; Certified Reference Material Benzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC) PubChem

3 Chemical and Physical Properties

3.1 Computed Properties