BENZYL ACETOACETATE Chemical Properties

Boiling point:

156-159 °C10 mm Hg(lit.)

Density 

1.112 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.512(lit.)

FEMA 

2136 | BENZYL ACETOACETATE

Flash point:

>230 °F

storage temp. 

Store below +30°C.

solubility 

It is soluble in alkali solutions.

pka

10.60±0.46(Predicted)

form 

clear liquid

color 

Colorless to Brown

Odor

at 100.00 %. sweet benzyl propionate and acetate floral fruity

Odor Type

floral

JECFA Number

848

BRN 

2049615

LogP

2.03

CAS DataBase Reference

5396-89-4(CAS DataBase Reference)

EPA Substance Registry System

Benzyl acetoacetate (5396-89-4)

Safety Information

Safety Statements 

24/25

WGK Germany 

1

TSCA 

Yes

HS Code 

29183000

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

BENZYL ACETOACETATE Usage And Synthesis

Chemical Properties

yellow viscous liquid

Chemical Properties

Benzyl acetoacetate has a sweet, floral, fresh, balsamic, fruity odor similar to that of ethyl acetate.

Occurrence

Reported found in litchi (Litchi sinensis Sonn.).

Uses

Benzyl acetoacetate is used as a Pharmaceutical and fine chemical intermediate.  Occasionally used in perfumery for special notes. Blends very well with refined Labdanum extracts, iso-Butyl cinnamate, Ionones, etc. and lends a natural, mellow topnote to woodyfloral or herbaceous-floral fragrances. Although relatively high boiling, it appears in a fragrance at the very initial notes with surprising tenacity. Also used in flavor compositions, mainly in Berry and Fruit flavors in concentrations equal to 50 ppm in the functional consumer product.

Uses

Benzyl acetoacetate (AAbenzyl) is chemical intermediate used for the syntheses of different organic chemicals Product Data Sheet

Preparation

By heating ethyl acetoacetate and benzyl alcohol to 160°C.

Definition

ChEBI: Benzyl acetoacetate is a carboxylic ester. It is functionally related to a benzyl alcohol.

General Description

Benzyl acetoacetate undergoes asymmetric bioreduction to form benzyl (S)-(+)-3-hydroxybutyrate in the presence of Candida schatavii strain MY 1831.

Purification Methods

Fractionate the ester and collect fractions with the expected physical properties. Otherwise add ca 10% by weight of benzyl alcohol and heat in an oil bath (160-170o, open vessel) for 30minutes during which time excess of benzyl alcohol will have distilled off, then fractionate. [Baker et al. J Org Chem 17 77 1952, Beilstein 6 IV 2480.]

BENZYL ACETOACETATE(5396-89-4)Related Product Information

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• GADOLINIUM (III) ACETYLACETONATE HYDRATE
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• Platinum bis(acetylacetonate)
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• CALCIUM LEVULINATE
• Levulinic acid
• Ethyl levulinate
• Bis(acetylacetonato)cobalt
• CADMIUM 2,4-PENTANEDIONATE, HYDRATE
• BARIUM ACETYLACETONATE HYDRATE