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(R)-mercapto-3-methyl hexan-1-ol

General Material Information

Preferred name (R)-mercapto-3-methyl hexan-1-ol
Trivial Name (3R)-3-methyl-3-sulfanylhexan-1-ol
Short Description 1-hexanol, 3-mercapto-3-methyl-, (3R)-
Formula C7 H16 O S
CAS Number 828300-39-6
FDA UNII Search
Nikkaji Number J3.078.694G
xLogP3-AA 1.70 (est)
NMR Predictor External link
Synonyms
  • 1-hexanol, 3-mercapto-3-methyl-, (3R)-
  • (3R)-(+)-3-mercapto-3-methyl hexan-1-ol
  • (3R)-3-methyl-3-sulfanyl-1-hexanol
  • (3R)-3-methyl-3-sulfanylhexan-1-ol

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Literature & References

Leffingwell:Chirality or Article
(3R)-3-methyl-3-sulfanylhexan-1-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):9793841
Pubchem (sid):162712978
Publications by US Patents
6,805,893 - Mercapto-alkanol flavor compounds

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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 148.26872253418
Vapor Pressure 0.023 mmHg @ 25 °C
Flash Point TCC Value 87.2 °C TCC
logP (o/w) 1.993 est
Solubility
water, 1133 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Citrus
grapefruit, passion fruit, currant black currant, onion
General comment At 0.10 % in propylene glycol. grapefruit passion fruit blackcurrant onion

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:
information only not used for fragrances or flavors
Recommendation for (R)-mercapto-3-methyl hexan-1-ol usage levels up to:
not for fragrance use.
Recommendation for (R)-mercapto-3-methyl hexan-1-ol 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 :9793841
National Institute of Allergy and Infectious Diseases:Data
(3R)-3-methyl-3-sulfanylhexan-1-ol