dimethyl benzyl carbinyl isobutyrate

General Material Information

Preferred name	dimethyl benzyl carbinyl isobutyrate
Trivial Name	1,1-Dimethyl-2-phenylethyl 2-methylpropanoate
Short Description	1,1-dimethyl-2-phenylethyl isobutyrate
Formula	C14 H20 O2
CAS Number	59354-71-1
ECHA Number	261-715-3
FDA UNII	Search
Nikkaji Number	J183.041D
xLogP3-AA	3.70 (est)
NMR Predictor	External link
Synonyms	benzyl propyl isobutyrate dimethyl benzyl carbinol isobutyrate dimethyl benzyl carbinyl iso butyrate alpha,alpha- dimethyl phenethyl isobutyrate 1,1-dimethyl-2-phenyl ethyl isobutyrate 1,1-dimethyl-2-phenylethyl isobutyrate DMBC isobutyrate 2-methyl propanoic acid 1,1-dimethyl-2-phenyl ethyl ester 2-methyl-1-phenylpropan-2-yl 2-methylpropanoate (2-methyl-1-phenylpropan-2-yl) 2-methylpropanoate propanoic acid, 2-methyl-, 1,1-dimethyl-2-phenylethyl ester raisin isobutyrate (2-methyl-1-phenylpropan-2-yl) 2-methylpropanoate 1,1-Dimethyl-2-phenylethyl 2-methylpropanoate

(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:	2915.60.0000
ChemSpider:	View

Ernesto Ventós	Indukern F&F
Inoue Perfumery	Lluch Essence
Moellhausen	Nagar Haveli Perfumes & Aromatics
Pearlchem Corporation	Penta International
The John D. Walsh Company	Vigon International
Indukern, S.A. F&F Ingredients Division	Lluch Essence S.L.
Moellhausen S.P.A.	Penta International Corporation
The John D. Walsh Company, Inc	Ernesto Ventós S.A.

Material listed in food chemical codex	No
Molecular weight	220.3117980957
Specific gravity	@ 25 °C
Pounds per Gallon	7.98 to 8.046
Specific gravity	@ 20 °C
Pounds per Gallon	7.997 to 8.064
Refractive Index	1.481 to 1.485 @ 20 °C
Boiling Point	286 to 287°C @ 760 mm Hg
Vapor Pressure	0.002 mmHg @ 25 °C
Flash Point TCC Value	100 °C TCC
logP (o/w)	3.926 est
Solubility
alcohol	Yes
water, 6.587 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Fruity
fruity, raisin, jasmin, currant bud black currant bud, jammy
Luebke, William tgsc, (1989)	At 100.00 %. fruity raisin jasmin cassis jam

Applications	fragrance agents
Odor purposes	Currant, Currant black currant, Currant bud absolute replacer, Fruit, Jasmin, Raisin
Flavoring purposes	Currant bud absolute replacer
Other purposes	Jam
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.
Oral/Parenteral Toxicity:
Not determined
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 dimethyl benzyl carbinyl isobutyrate usage levels up to:
	5.0000 % in the fragrance concentrate.

Recommendation for dimethyl benzyl carbinyl isobutyrate flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):59354-71-1

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :101023

National Institute of Allergy and Infectious Diseases:Data

(2-methyl-1-phenylpropan-2-yl) 2-methylpropanoate

Chemidplus:0059354711