apple crotonate

General Material Information

Preferred name	apple crotonate
Trivial Name	1,3-Dimethylbutyl 2-butenoate
Short Description	frutinat (Symrise)
Formula	C10 H18 O2
CAS Number	35206-51-0
ECHA Number	252-438-9
FDA UNII	Search
Nikkaji Number	J289.934E
Beilstein Number	14626585
xLogP3-AA	3.10 (est)
NMR Predictor	External link
Synonyms	2-butenoic acid 1,3-dimethyl butyl ester 2-butenoic acid, 1,3-dimethylbutyl ester damascia (Grau) damasconate 1,3-dimethyl butyl 2-butenoate dimethyl butyl crotonate 1,3-dimethylbutyl 2-butenoate frutinat (Symrise) frutinate methyl isobutyl carbinyl crotonate 4-methyl pentan-2-yl (E)-2-butenoate 4-methyl pentan-2-yl (E)-but-2-enoate methylisobutylcarbinyl crotonate 4-methylpentan-2-yl (E)-but-2-enoate 4-methylpentan-2-yl (E)-but-2-enoate 2-Butenoic acid, 1,3-dimethylbutyl ester 1,3-Dimethylbutyl 2-butenoate Frutinat

(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

Associate Allied Chemicals	Augustus Oils
Grau Aromatics	Lluch Essence
Moellhausen	PCW France
Seqens	SRS Aromatics
Symrise	Tadimety Aromatics
Vigon International	Augustus Oils Ltd
Lluch Essence S.L.	Moellhausen S.P.A.
SRS Aromatics Ltd	Symrise AG
Tadimety Aromatics Private Limited

Material listed in food chemical codex	No
Molecular weight	170.25186157227
Boiling Point	204 to 205°C @ 760 mm Hg
Acid Value	2 max KOH/g
Vapor Pressure	0.261 mmHg @ 25 °C
Flash Point TCC Value	71.67 °C TCC
logP (o/w)	3.4
Solubility
alcohol	Yes
water, 69.56 mg/L @ 25 °C (est)	Yes

Odor Type: Fruity
fruity, juicy, apple, pear, plum, grape
Luebke, William tgsc, (1988)	At 100.00 %. fruity juicy apple pear plum grape
Stable in: body lotion (good), shampoo (very good), soap (very good), ap roll-on (good), powder (very good), cleaner citric (good), cleaner apc (very good), bleach (poor).	A juicy-fruity odor, reminiscent of apple, pear, plum and grape
General comment	Fruity Juicy apple pear plum grape

European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 36 - Wear suitable protective clothing.

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.
Human Experience:
100%: slight irritation.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Inhalation Toxicity:
Not determined

Category:
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 apple crotonate usage levels up to:
	8.0000 % in the fragrance concentrate.

Recommendation for apple crotonate flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):35206-51-0

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6440993

National Institute of Allergy and Infectious Diseases:Data

4-methylpentan-2-yl (E)-but-2-enoate

Chemidplus:0035206510