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(S)-3-thiohexanol

General Material Information

Trivial Name (S)-3-thiohexanol
Short Description 1-hexanol, 3-mercapto-, (3S)-
Formula C6 H14 O S
CAS Number 90180-90-8
FDA UNII N74437J364
Nikkaji Number J1.686.514A
xLogP3-AA 1.50 (est)
NMR Predictor External link
Synonyms
  • 1-hexanol, 3-mercapto-, (3S)-
  • 1-hexanol, 3-mercapto-, (S)-
  • (S)-3-mercapto-1-hexanol
  • (3S)-3-mercaptohexan-1-ol
  • (3S)-3-mercaptohexanol
  • 3-mercaptohexanol, (S)-
  • (S)-3-mercaptohexyl alcohol
  • (S)- passion fruit mercaptan
  • (S)- passionfruit mercaptan
  • (3S)-3-sulfanylhexan-1-ol

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PhysChem Properties

Material listed in food chemical codex No
Molecular weight 134.2417755127
Flash Point TCC Value 82.3 °C TCC
logP (o/w) 1.64 est
Solubility
water, 3166 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Fruity
fruity, juicy, fruit tropical fruit, grapefruit, currant black currant, buchu, mango, guava
General comment At 0.10 % in dipropylene glycol. fruity juicy tropical fruits grapefruit blackcurrant buchu mango guava

Occurrences

Safety Information

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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
natural substances and extractives
Recommendation for (S)-3-thiohexanol usage levels up to:
not for fragrance use.
Recommendation for (S)-3-thiohexanol flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7162054
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(3S)-3-sulfanylhexan-1-ol
Chemidplus:0090180908