h
hexan-2-one
Chemical compound
Also known as 2-Hexanone · Butyl methyl ketone · MBK · Methyl butyl ketone · Methyl n-butyl ketone
- Formula
- C₆H₁₂O
- Mass
- 100.0888 Da
- Melting point
- -71°F
- , -56°C
1
- , -55.5°C
1
- Boiling point
- 262°F
- , 127.6°C
1
- Density
- 0.81 g/cm³
- Solubility
- 2
Chemistry
All data
84 statements · 55% with external sources · numbers in brackets are citations
- Canonical SMILES
- O=C(C)CCCC
- CCCCC(=O)C
- Vapor pressure
- 11 temperature: 68°F
- Ionization energy
- 9.34 eV
- 9.35 eV
1
- Time-weighted average exposure limit
- 4 applies to jurisdiction: none · runtime: 10 h
- 410 applies to jurisdiction: United States · runtime: 8 h
- Safety classification and labelling
- Q51139288 nfpa health: 2 · nfpa fire: 3 · nfpa instability: 0
- Found in taxon
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On other databases
35 identifiers linking hexan-2-one across the web's reference databases
- CA PROP 65 IDmethyl-n-butyl-ketone
- CAMEO Chemicals ID7048
- CAS Registry Number591-78-6
- ChEBI ID89206
- ChEMBL IDCHEMBL195861
- ChemSpider ID11095
- DSSTOX compound identifierDTXCID202068
- DSSTox substance IDDTXSID0022068
- EC number209-731-1
- ECHA Substance Infocard ID100.008.848
- Freebase ID/m/05mrx7v
- HCIS ID2401
- HSDB ID543
- Human Metabolome Database IDHMDB0005842
- ICSC ID0489
- InChIInChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
- InChIKeyQQZOPKMRPOGIEB-UHFFFAOYSA-N
- KNApSAcK IDC00053953
- LIPID MAPS IDLMFA12000048
- MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP000259
- MeSH descriptor IDD008742
- MeSH tree codeD02.522.520.500
- Microsoft Academic ID (discontinued)2776812042
- NMRShiftDB structure ID10016751
- OSHA Occupational Chemical Database ID427
- PesticideInfo chemical IDPRI4118
- Probes And Drugs IDPD124154
- PubChem CID11583
- RTECS numberMP1400000
- ScienceDirect topic IDmedicine-and-dentistry/2-hexanone
- SureChEMBL ID43282
- UMLS CUIC0025708
- UniChem compound ID589170
- UNII6QDY60NH6N
- ZVG number31940