Benzyldimethylcarbinyl butyrate Chemical Properties

Boiling point:

237-255 °C(lit.)

Density 

0.969 g/mL at 25 °C(lit.)

vapor pressure 

0.164Pa at 20℃

refractive index 

n20/D 1.4839(lit.)

FEMA 

2394 | ALPHA,ALPHA-DIMETHYLPHENETHYL BUTYRATE

Flash point:

>230 °F

Specific Gravity

0.96

color 

Colorless liquid

Odor

plum aroma

Odor Type

floral

Water Solubility 

16.11mg/L at 20℃

JECFA Number

1656

InChIKey

SHSGYHAHMQLYRB-UHFFFAOYSA-N

LogP

4.7 at 25℃

CAS DataBase Reference

10094-34-5(CAS DataBase Reference)

NIST Chemistry Reference

Butanoic acid, 1,1-dimethyl-2-phenylethyl ester(10094-34-5)

EPA Substance Registry System

Butanoic acid, 1,1-dimethyl-2-phenylethyl ester (10094-34-5)

Safety Information

Hazard Codes 

Xi,N

Risk Statements 

38-43-51/53

Safety Statements 

36/37-61

RIDADR 

UN3082 9/PG 3

WGK Germany 

2

RTECS 

ET0130000

Toxicity

LD50 orl-rat: >5 g/kg FCTXAV 18,667,80

MSDS

• Language:English Provider:SigmaAldrich

Benzyldimethylcarbinyl butyrate Usage And Synthesis

Chemical Properties

α,α-Dimethylphenylethyl Butyrate is a colorless liquid with a slightly herbal, strongly fruity odor,reminiscent of prune and apricot. It is used in perfumery as a modifier of the alcohol and for oriental notes.

Chemical Properties

α,α-Dimethylphenethyl butyrate has a mild, herbaceous, fruity (plum–prune) odor and an apricot-, peach-, plum-like taste

Uses

Benzyldimethylcarbinyl butyrate is used in perfume compositions of the Oriental-Rose, Chypre, Peony and other types, often as a modifier for other D. M.B.C. esters.

Definition

ChEBI: 2-Methyl-1-phenyl-2-propanyl butyrate is an alkylbenzene.

Safety Profile

Low oral toxicity. A skin irritant.When heated to decomposition it emits acrid smoke andirritating fumes.

Synthesis

Benzyldimethylcarbinyl butyrate is prepared by direct esterification of Dimethyl benzylcarbinol with n-Butyric acid, using a catalyst and preferably azeotropic conditions.

Benzyldimethylcarbinyl butyrate(10094-34-5)Related Product Information

• 2-Methyl-1-phenyl-2-propanol
• Benzyl bromide
• Diethylstilbestrol
• 2,2-Dimethylbutyric acid
• Tributyrin
• DIBENZYLTOLUENE
• (R)-Glycidyl butyrate
• α-Lipoic Acid
• Butyric Acid
• Benzyltriethylammonium chloride
• 3,3-Dimethylbutyric acid
• Benzyl chloride
• N,N-Dimethylbenzylamine
• Dimethylbenzylcarbinyl acetate
• Sucrose acetate isobutyrate
• Isoamyl butyrate
• 2-PHENYL-2-PROPANOL
• Benzyltrimethylammonium chloride