PHENETHYL ISOVALERATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O2
Molecular Weight	206.2808
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CC(=O)OCCC1=CC=CC=C1

InChI

InChIKey=JIMGVOCOYZFDKB-UHFFFAOYSA-N

InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H18O2
Molecular Weight	206.2808
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:51:29 GMT 2023` Edited by `admin` on `Fri Dec 15 16:51:29 GMT 2023`
Record UNII	K86JE60K0L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENETHYL ISOVALERATE

Systematic Name

English

PHENETHYL ISOVALERATE [FHFI]

Common Name

English

PHENETHYL ISOVALERATE [FCC]

Common Name

English

BUTANOIC ACID, 3-METHYL-, 2-PHENYLETHYL ESTER

Common Name

English

ISOVALERIC ACID, PHENETHYL ESTER

Common Name

English

2-PHENYLETHYL 3-METHYLBUTANOATE

Systematic Name

English

.BETA.-PHENYLETHYL ISOVALERATE

Systematic Name

English

PHENYLETHYL 3-METHYLBUTYRATE

Systematic Name

English

FEMA NO. 2871

Code

English

NSC-21899

Code

English

Classification Tree Code System Code

JECFA EVALUATION

PHENETHYL ISOVALERATE