fig crotonate

General Material Information

Preferred name	fig crotonate
Trivial Name	1-Cyclohexylethyl 2-butenoate
Short Description	datilat (Symrise)
Formula	C12 H20 O2
CAS Number	68039-69-0
Deleted CAS Number	514828-01-4
ECHA Number	268-276-7
FDA UNII	Search
Nikkaji Number	J288.970F
xLogP3-AA	3.70 (est)
NMR Predictor	External link
Synonyms	2-butenoic acid 1-cyclohexyl ethyl ester crotonic acid 1-cyclohexyl ethyl ester 1-cyclohexyl crotonic acid ethyl ester 1-cyclohexyl ethyl 2-butenoate 1-cyclohexyl ethyl crotonate cyclohexyl methyl carbinol crotonate 1-cyclohexylethyl (E)-but-2-enoate datilat (Symrise) 1-cyclohexylethyl (E)-but-2-enoate 2-Butenoic acid, 1-cyclohexylethyl ester 1-Cyclohexylethyl 2-butenoate Datilat

(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
Export Tariff Code:	2916 19 40 000
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	196.28979492188
Specific gravity	@ 25 °C
Pounds per Gallon	7.888 to 7.972
Refractive Index	1.465 to 1.473 @ 20 °C
Boiling Point	261 to 262°C @ 760 mm Hg
Acid Value	1 max KOH/g
Vapor Pressure	0.012 mmHg @ 25 °C
Flash Point TCC Value	121.67 °C TCC
logP (o/w)	4.255 est
Solubility
alcohol	Yes
paraffin oil	Yes
water, 9.372 mg/L @ 25 °C (est)	Yes
water	No
propylene glycol	No

Odor Type: Fruity
waxy, fruity, green, date, fig, prune, grape skin, brandy
Odor strength	medium
Substantivity	41 hour(s) at 100.00 %
Luebke, William tgsc, (1989)	At 100.00 %. waxy fruity green date fig prune grape skin
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).	Fruity, reminiscent of figs, raisins, dates, grapes, prunes and brandy

Applications	fragrance agents
Odor purposes	Date, Fig, Fruit, Grape, Prune, Raisin
Flavoring purposes	Brandy
Cosmetic purposes	Perfuming agents


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:
no effects detrimental to health are known.
Oral/Parenteral Toxicity:
oral-rat LD50 > 2000 mg/kg 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).
Dermal Toxicity:
Not determined
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 fig crotonate usage levels up to:
	5.0000 % in the fragrance concentrate.

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):68039-69-0

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6437290

National Institute of Allergy and Infectious Diseases:Data

1-cyclohexylethyl (E)-but-2-enoate

Chemidplus:0068039690