3-PHENYL PROPYL ISOBUTYRATE

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 of 3-PHENYL PROPYL ISOBUTYRATE

Structure Search

SMILES

CC(C)C(=O)OCCCC1=CC=CC=C1

InChI

InChIKey=VBTAKMZSMFMLGT-UHFFFAOYSA-N

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

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 `Mon Mar 31 19:21:07 GMT 2025` Edited by `admin` on `Mon Mar 31 19:21:07 GMT 2025`
Record UNII	Y9O48YFN18
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-PHENYLPROPYL ISOBUTYRATE

Preferred Name

English

3-PHENYL PROPYL ISOBUTYRATE

Common Name

English

HYDROCINNAMYL ISOBUTYRATE

Systematic Name

English

FEMA NO. 2893

Code

English

ISOBUTYRIC ACID, 3-PHENYLPROPYL ESTER

Common Name

English

3-PHENYLPROPYL 2-METHYLPROPANOATE

Systematic Name

English

PROPANOIC ACID, 2-METHYL-, 3-PHENYLPROPYL ESTER

Common Name

English

NSC-404455

Code

English

HYDROCINNAMYL 2-METHYLPROPANOATE

Systematic Name

English

3-PHENYLPROPYL ISOBUTYRATE [FHFI]

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515