isopropyl thioisovalerate

General Material Information

Preferred name	isopropyl thioisovalerate
Trivial Name	S-Isopropyl 3-methylbutanethioate
Short Description	butanethioic acid, 3-methyl-, S-(1-methylethyl) ester
Formula	C8 H16 O S
CAS Number	34322-06-0
ECHA Number	251-936-3
FDA UNII	Search
Nikkaji Number	J287.899B
xLogP3-AA	2.70 (est)
NMR Predictor	External link
Synonyms	butanethioic acid, 3-methyl-, S-(1-methylethyl) ester S-1-methyl ethyl 3-methyl butane thioate S-1-methyl ethyl 3-methyl butanethioate S-1-methylethyl 3-methylbutanethioate S- propan-2-yl 3-methylbutanethioate S-iso propyl 3-methyl butane thioate S-iso propyl 3-methyl butanethioate iso propyl 3-methyl thiobutyrate S-iso propyl 3-methyl thiobutyrate S-iso propyl thioisopentanoate iso propyl thioisovalerate S-iso propyl-3-methyl butane thioate S-iso propyl-3-methyl butanethioate S-propan-2-yl 3-methylbutanethioate Butyric acid, 3-methylthio-, S-isopropyl ester S-Isopropyl 3-methylbutanethioate 3-Methyl-1-(propan-2-ylsulfanyl)butan-1-one

(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	160.27972412109
Specific gravity	@ 20 °C
Pounds per Gallon	7.414 to 7.581
Refractive Index	1.45 to 1.458 @ 20 °C
Boiling Point	193 to 195°C @ 760 mm Hg
Vapor Pressure	0.398 mmHg @ 25 °C
Flash Point TCC Value	62.78 °C TCC
logP (o/w)	3.095 est
Solubility
alcohol	Yes
water, 469.5 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Green
green, galbanum, sulfurous
General comment	At 0.01 % in dipropylene glycol. green galbanum sulfurous

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.

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
Recommendation for isopropyl thioisovalerate usage levels up to:
	0.0300 % in the fragrance concentrate.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):34322-06-0

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :118641

National Institute of Allergy and Infectious Diseases:Data

S-propan-2-yl 3-methylbutanethioate

Chemidplus:0034322060