10094-34-5

Basic information

• Product Name: Benzyldimethylcarbinyl butyrate
• Synonyms: 1,1-Dimethyl-2-phenylethyl butyrate;2-Benzyl-2-propylbutyrate;a,a-dimethylphenethyl;a,a-dimethylphenethylbutyrate;alpha,alpha-Dimethylphenethyl alcohol, butyrate;Benzyl dimethylcarbinyl n-butyrate;benzyldimethylcarbinyln-butyrate;Butanoic acid, 1,1-dimethyl-2-phenylethyl ester
• CAS NO: 10094-34-5
• Molecular Formula: C14H20O2
• Molecular Weight: 220.31
• EINECS: 233-221-8
• Product Categories: Alphabetical Listings;C-D;Flavors and Fragrances
• Mol File: 10094-34-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 237-255 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.969 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00168mmHg at 25°C
• Refractive Index: n20/D 1.4839(lit.)
• Water Solubility: 16.11mg/L at 20℃
• CAS DataBase Reference: Benzyldimethylcarbinyl butyrate(CAS DataBase Reference)
• NIST Chemistry Reference: Benzyldimethylcarbinyl butyrate(10094-34-5)
• EPA Substance Registry System: Benzyldimethylcarbinyl butyrate(10094-34-5)

Safety Data

• Hazard Codes: Xi,N
• Statements: 38-43-51/53
• Safety Statements: 36/37-61
• RIDADR: UN3082 9/PG 3
• WGK Germany: 2
• RTECS: ET0130000
• Hazardous Substances Data: 10094-34-5(Hazardous Substances Data)

Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 10094-34-5 differently. You can refer to the following data:
1. colorless liquid
2. 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.
3. α,α-Dimethylphenethyl butyrate has a mild, herbaceous, fruity (plum–prune) odor and an apricot-, peach-, plum-like taste

Safety Profile

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

InChI:InChI=1/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3

Upstream product

• 106-31-0 butanoic acid anhydride 
• 100-44-7 benzyl chloride 
• 67-64-1 acetone 

Relevant articles and documents

Method for synthesizing dimethylbenzyl orthoester butyrate spice

The invention relates to a method for synthesizing a dimethylbenzyl orthoester butyrate spice. The method comprises the following steps: with benzyl chloride, magnesium chips and butyric anhydride as raw materials, conducting a reaction in a nitrogen atmosphere under the action of a specific reaction solvent at a temperature of 40-60 DEG C for 3-6 hours; performing direct esterification reaction for 1-3 hours at a temperature of 50-70 DEG C after recovering the solvent through atmospheric distillation; performing quenching; and then conducting rectifying under reduced pressure to obtain the product, namely dimethylbenzyl orthoester butyrate. The method provided by the invention is simple in operation steps and few in side reaction; the purity of the final product is higher than 99%, and the final product has high yield and stable aroma; the distilled reaction solvent can be recycled and reused; and the problems of more reaction steps, low yield, high cost and the like in the prior art are solved.