sec-butyl-3-methyl but-2-ene thioate

General Material Information

Preferred name	sec-butyl-3-methyl but-2-ene thioate
Trivial Name	S-(1-Methylpropyl) 3-methyl-2-butenethioate
Short Description	3-methylthiocrotonic acid, S-sec-butyl ester
Formula	C9 H16 O S
CAS Number	34322-09-3
ECHA Number	251-938-4
FDA UNII	AJD6235QYA
Nikkaji Number	J287.901H
xLogP3-AA	3.40 (est)
NMR Predictor	External link
Synonyms	S- butan-2-yl 3-methylbut-2-enethioate 2-butenethioic acid, 3-methyl-, S-(1-methylpropyl) ester S-sec- butyl 3-methyl-2-butene thioate sec- butyl 3-methyl-2-butene thioate tert- butyl 3-methyl-2-butene thioate S-sec- butyl 3-methyl-2-butenethioate sec- butyl 3-methyl-2-butenethioate S-sec- butyl 3-methylbut-2-enethioate tert- butyl isopent-2-ne thioate tert- butyl isopent-2-nethioate sec- butyl S-senecthioate sec- butyl-3-methyl but-2-enethioate sec- butyl3-methbut-2-ene thioate galbanum thioate 3-methyl thiocrotonic acid S-sec-butyl ester 3-methylthiocrotonic acid, S-sec-butyl ester S-butan-2-yl 3-methylbut-2-enethioate 2-Butenethioic acid, 3-methyl-, S-(1-methylpropyl) ester Crotonic acid, 3-methylthio-, S-sec-butyl ester S-(1-Methylpropyl) 3-methyl-2-butenethioate S-sec-Butyl 3-methylbut-2-enethioate 1-(Butan-2-ylsulfanyl)-3-methylbut-2-en-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	172.29072570801
Specific gravity	@ 20 °C
Pounds per Gallon	7.881 to 7.931
Refractive Index	1.501 to 1.507 @ 20 °C
Boiling Point	185 to 187°C @ 760 mm Hg
Acid Value	1 max KOH/g
Vapor Pressure	0.022 mmHg @ 25 °C
Vapor Density	5.9
Flash Point TCC Value	60.56 °C TCC
logP (o/w)	3.219 est
Solubility
alcohol	Yes
water, 84.61 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Green
green, grassy, herbal, spicy
General comment	At 0.10 % in dipropylene glycol. green grassy herbal spicy

Applications	flavor and fragrance agents
Odor purposes	Balsam, Galbanum, Fresh outdoors
Flavoring purposes	Capsicum, Green, Herbal, Spice
Other purposes	Grass
Cosmetic purposes	Perfuming agents

European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. 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 36/37/39 - Wear suitable clothing, 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 sec-butyl-3-methyl but-2-ene thioate usage levels up to:
	1.0000 % in the fragrance concentrate.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):34322-09-3

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :118148

National Institute of Allergy and Infectious Diseases:Data

S-butan-2-yl 3-methylbut-2-enethioate

Chemidplus:0034322093