1
1-hexanethiol
Chemical compound
Also known as 1-Hexanethiol · Hexyl mercaptan · n-Hexyl mercaptan · n-Hexylthiol
- Formula
- C₆H₁₄S
1
- C₆H₁₄S
- Mass
- 118.082 Da
1
- 118.082 Da
- Melting point
- -113°F
- , -81°C
1
- Boiling point
- 304°F
- Density
- 0.84 g/cm³
Chemistry
All data
40 statements · 65% with external sources · numbers in brackets are citations
- Ceiling exposure limit
- 2.7 milligram per cubic metre applies to jurisdiction: none · runtime: 15 min
- Canonical SMILES
- CCCCCCS
1
- CCCCCCS
On other databases
23 identifiers linking 1-hexanethiol across the web's reference databases
- CAMEO Chemicals ID25031
- CAS Registry Number111-31-9
- ChEBI ID169314
- ChEMBL IDCHEMBL153339
- ChemSpider ID7815
- DSSTOX compound identifierDTXCID4030126
- DSSTox substance IDDTXSID0051574
- EC number203-857-0
- ECHA Substance Infocard ID100.003.507
- FL number12.132
- Google Knowledge Graph ID/g/121xk2ls
- Human Metabolome Database IDHMDB0039806
- ICSC ID1523
- InChIInChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
- InChIKeyPMBXCGGQNSVESQ-UHFFFAOYSA-N
- JECFA database ID1123
- JECFA number518
- PubChem CID8106
- RTECS numberMO4550000
- SureChEMBL ID22331
- UniChem compound ID138141
- UNII1KH2129A0Q
- ZVG number492759