(2R,5S)-buchu mercaptan

General Material Information

Trivial Name	(2R,5S)-buchu mercaptan
Short Description	(2R,5S)-8-thiomenthone
Formula	C10 H18 O S
CAS Number	35117-86-3
FDA UNII	Search
Nikkaji Number	J110.052A
xLogP3-AA	2.30 (est)
NMR Predictor	External link
Synonyms	cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-, (2R,5S)- (2R,5S)- mentha-8-thiol-3-one (2R,5S)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one (2R,5S)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexanone (2R,5S)-8-thiomenthone

(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
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	186.3176574707
Vapor Pressure	0.006 mmHg @ 25 °C
Flash Point TCC Value	108.3 °C TCC
logP (o/w)	2.624 est
Solubility
water, 218.4 mg/L @ 25 °C (est)	Yes

Odor Type: Rubbery
rubbery
General comment	At 0.10 % in propylene glycol. rubber-like


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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6951711

National Institute of Allergy and Infectious Diseases:Data

(2R,5S)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one