| Identification | More | [Name]
BENZYL ACETOACETATE | [CAS]
5396-89-4 | [Synonyms]
AC-BENZYL
ACETOACETIC ACID BENZYL ESTER
BENZYL2-OXOBUTANOATE
BENZYL ACETOACETATE
FEMA 2136
3-oxo-butanoicaciphenylmethylester
Benzyl 3-oxobutanoate
Benzyl acetylacetate
Benzyl3-oxobutanoate
Butanoicacid,3-oxo-,phenylmethylester
BENZYL ACETOACETATE 97+%
BENZYL ACETOACETATE, WACKER QUALITY
Benzyl acetoacetate, tech., 90%
Benzylacetoacetat
Acetoacetic acid phenylmethyl ester
Benzyl 3-oxobutyrate
Benzyloxycarbonylacetone | [EINECS(EC#)]
226-416-4 | [Molecular Formula]
C11H12O3 | [MDL Number]
MFCD00008785 | [Molecular Weight]
192.21 | [MOL File]
5396-89-4.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow viscous liquid | [Boiling point ]
156-159 °C10 mm Hg(lit.) | [density ]
1.112 g/mL at 25 °C(lit.)
| [FEMA ]
2136 | [refractive index ]
n20/D 1.512(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
It is soluble in alkali solutions. | [form ]
clear liquid | [pka]
10.60±0.46(Predicted) | [color ]
Colorless to Brown | [Odor]
at 100.00 %. sweet benzyl propionate and acetate floral fruity | [Odor Type]
floral | [Usage]
Benzyl acetoacetate (AAbenzyl) is chemical intermediate used for the syntheses of different organic chemicals Product Data Sheet | [JECFA Number]
848 | [BRN ]
2049615 | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 | [InChIKey]
WOFAGNLBCJWEOE-UHFFFAOYSA-N | [SMILES]
CC(=O)CC(=O)OCc1ccccc1 | [LogP]
2.03 | [CAS DataBase Reference]
5396-89-4(CAS DataBase Reference) | [EPA Substance Registry System]
Benzyl acetoacetate (5396-89-4) |
| Safety Data | Back Directory | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
1
| [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29183000 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
Benzyl acetoacetate has a sweet, floral, fresh, balsamic, fruity odor similar to that of ethyl acetate. | [Chemical Properties]
yellow viscous liquid | [Occurrence]
Reported found in litchi (Litchi sinensis Sonn.). | [Uses]
Benzyl acetoacetate (AAbenzyl) is chemical intermediate used for the syntheses of different organic chemicals Product Data Sheet | [Uses]
Benzyl acetoacetate is used as a Pharmaceutical and fine chemical intermediate. | [Definition]
ChEBI: Benzyl acetoacetate is a carboxylic ester. It is functionally related to a benzyl alcohol. | [Preparation]
By heating ethyl acetoacetate and benzyl alcohol to 160°C. | [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.] |
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