(S)-3-thiohexanol
1-hexanol, 3-mercapto-, (3S)-
 
Notes:
Constit. of volatile oil of yellow passion fruit (Passiflora edulis f. flavicarpa)
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CAS Number: 90180-90-8Picture of molecule3D/inchi
FDA UNII: N74437J364
Nikkaji Web: J1.686.514A
XlogP3-AA: 1.50 (est)
Molecular Weight: 134.24178000
Formula: C6 H14 O S
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 212.40 °C. @ 760.00 mm Hg (est)
Flash Point: 180.00 °F. TCC ( 82.30 °C. ) (est)
logP (o/w): 1.640 (est)
Soluble in:
 water, 3166 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 fruity  juicy  fruit tropical fruit  grapefruit  currant black currant  buchu  mango  guava  
Odor Description:
at 0.10 % in dipropylene glycol. 
fruity juicy tropical fruits grapefruit blackcurrant buchu mango guava
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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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.
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Safety References:
EPI System: View
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
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References:
Leffingwell: Chirality or Article
 (3S)-3-sulfanylhexan-1-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 7162054
Pubchem (sid): 223369608
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 passiflora edulis f. flavicarpa
Search Trop  Picture
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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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Articles:
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