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 |
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NCBI | Start search |
(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 |
HMDB (The Human Metabolome Database): | Search |
FooDB: | FDB019853 |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
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 |
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 |
(data available) |
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 |
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. |
EPI System: View |
AIDS Citations:Search |
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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 |