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3-mercapto-3-methyl-1-hexanol
1-hexanol, 3-mercapto-3-methyl-

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Flavor Demo Formulas
CAS Number: 307964-23-4Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J1.992.432G
XlogP3-AA:1.70 (est)
Molecular Weight:148.26872000
Formula:C7 H16 O S
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 220.55 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.023000 mmHg @ 25.00 °C. (est)
Flash Point: 189.00 °F. TCC ( 87.20 °C. ) (est)
logP (o/w): 2.193 (est)
Soluble in:
 alcohol
 water, 1133 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Flavor Type: fruity
passion fruit currant black currant green fruity
Taste Description: passion fruit, black currant, green fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-MERCAPTO-3-METHYL-1-HEXANOL 95%
Carbosynth
For experimental / research use only.
3-Mercapto-3-methyl-1-hexanol
Endeavour Specialty Chemicals
3-Mercapto-3-methyl-1-hexanol 95%
Speciality Chemical Product Groups
Endeavour Specialty Chemicals
3-Mercapto-3-methyl-1-hexanol
Jiangyin Healthway
3-Mercapto-3-methyl-1-hexanol
New functional food ingredients
Robinson Brothers
3-Mercapto-3-methyl-1-hexanol
https://www.robinsonbrothers.uk/chemistry-competences
Robinson Brothers
3-Mercapto-3-methyl-1-hexanol
 
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:
information only not used for fragrances or flavors
Recommendation for 3-mercapto-3-methyl-1-hexanol usage levels up to:
 not for fragrance use.
 
Recommendation for 3-mercapto-3-methyl-1-hexanol 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 :10130039
National Institute of Allergy and Infectious Diseases:Data
3-methyl-3-sulfanylhexan-1-ol
 
References:
Leffingwell:Chirality or Article
 3-methyl-3-sulfanylhexan-1-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10130039
Pubchem (sid):39968474
 
Other Information:
(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
Export Tariff Code:2930.90.9999
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1-hexanol, 3-mercapto-3-methyl-
3-mercapto-3-methyl hexan-1-ol
3-mercapto-3-methyl hexanol
3-methyl-3-sulfanylhexan-1-ol
 
 
Notes:
None found
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