Benzyl acetoacetate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12O3
Molecular Weight	192.2112
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)CC(=O)OCC1=CC=CC=C1

InChI

InChIKey=WOFAGNLBCJWEOE-UHFFFAOYSA-N

InChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H12O3
Molecular Weight	192.2112
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Synthesis and characterization of polyester dendrimers from acetoacetate and acrylate.	2005-02-17	15704885
Synthesis of polycyclic guanidines by cyclocondensation reactions of N-amidinyliminium ions.	2001-05-04	11325284

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:32:51 GMT 2025` Edited by `admin` on `Mon Mar 31 19:32:51 GMT 2025`
Record UNII	F9S0XGV18X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEMA NO. 2136

Preferred Name

English

Benzyl acetoacetate

Systematic Name

English

Butanoic acid, 3-oxo, phenylmethyl ester

Common Name

English

NSC-4391

Code

English

Phenylmethyl 3-oxobutanoate

Systematic Name

English

Benzyl acetoacetate [FHFI]

Common Name

English

Benzyl acetylacetate

Systematic Name

English

Benzyl 3-oxobutanoate

Systematic Name

English

3-Oxobutanoic acid phenylmethyl ester

Systematic Name

English

Acetoacetic acid, benzyl ester

Common Name

English

3-Oxobutanoic acid benzyl ester

Systematic Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515