dimethyl benzyl carbinyl propionate

General Material Information

Preferred name	dimethyl benzyl carbinyl propionate
Trivial Name	Dimethylbenzylcarbinyl propionate
Short Description	benzeneethanol, a,a-dimethyl-, propanoate
Formula	C13 H18 O2
CAS Number	67785-77-7
ECHA Number	267-072-5
FDA UNII	Search
Nikkaji Number	J260.933I
xLogP3-AA	3.20 (est)
NMR Predictor	External link
Synonyms	benzeneethanol, a,a-dimethyl-, propanoate benzyl dimethyl carbinyl propionate benzyl isopropyl propionate benzyl propyl propionate benzylisopropyl propionate dimethyl benzyl carbinol propionate dimethyl benzyl carbinyl proprionate alpha,-alpha- dimethyl phenethyl propionate alpha,alpha- dimethyl phenyl ethyl propionate dimethylbenzylcarbinyl propionate hairy propionate 2-methyl-1-phenylpropan-2-yl propionate (2-methyl-1-phenylpropan-2-yl) propanoate phenethyl alcohol, a,a-dimethyl-, propionate propanoic acid (3-phenyl-2-methyl-2-propyl) ester propanoic acid 1,1-dimethyl-2-phenyl ethyl ester propanoic acid, (3-phenyl-2-methyl-2-propyl) ester propanoic acid, 1,1-dimethyl-2-phenylethyl ester (2-methyl-1-phenylpropan-2-yl) propanoate Benzeneethanol, α,α-dimethyl-, 1-propanoate Benzeneethanol, α,α-dimethyl-, propanoate

(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:	2915.50.3000
ChemSpider:	View

Apple Flavor & Fragrance	Berjé
Fleurchem	Nagar Haveli Perfumes & Aromatics
Pearlchem Corporation	Penta International
Vigon International	Penta International Corporation

Material listed in food chemical codex	No
Molecular weight	206.28486633301
Specific gravity	@ 25 °C
Pounds per Gallon	8.155 to 8.221
Specific gravity	@ 20 °C
Pounds per Gallon	8.172 to 8.239
Refractive Index	1.487 to 1.492 @ 20 °C
Boiling Point	275 to 276°C @ 760 mm Hg
Vapor Pressure	0.005 mmHg @ 25 °C
Flash Point TCC Value	100 °C TCC
logP (o/w)	3.572 est
Shelf life	24 months (or longer if stored properly.)
Storage notes	Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol	Yes
water, 17.74 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Floral
sweet, jasmin, hairy, tea, natural
Odor strength	medium
Substantivity	100 hour(s) at 100.00 %
Luebke, William tgsc, (1993)	At 100.00 %. sweet jasmin hairy tea natural
Flavor Type: Fruity
fruity, berry, seedy, green, privet, floral, tropical, plum, raisin
Luebke, William tgsc, (1993)	Fruity berry seedy green privet floral tropical plum raisin


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:
oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 669, 1980.
Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 669, 1980.
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 propionate usage levels up to:
	3.0000 % in the fragrance concentrate.

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):67785-77-7

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :105595

National Institute of Allergy and Infectious Diseases:Data

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

Chemidplus:0067785777