2-PHENYLPROPYL ISOBUTYRATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H18O2
Molecular Weight	206.2808
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-PHENYLPROPYL ISOBUTYRATE

Structure Search

SMILES

CC(C)C(=O)OCC(C)C1=CC=CC=C1

InChI

InChIKey=LZTCJUAHYXNKRE-UHFFFAOYSA-N

InChI=1S/C13H18O2/c1-10(2)13(14)15-9-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H18O2
Molecular Weight	206.2808
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:24:56 GMT 2025` Edited by `admin` on `Mon Mar 31 20:24:56 GMT 2025`
Record UNII	3H4JM1983E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-PHENYLPROPYL ISOBUTYRATE

Systematic Name

English

FEMA NO. 2892

Preferred Name

English

HYDRATROPYL ISOBUTYRATE

Systematic Name

English

HYDRATROPYL 2-METHYLPROPANOATE

Systematic Name

English

2-PHENYLPROPYL ISOBUTYRATE [FHFI]

Common Name

English

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

Common Name

English

2-PHENYLPROPYL 2-METHYLPROPANOATE

Systematic Name

English

.BETA.-METHYLPHENETHYL ISOBUTYRATE

Systematic Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515

Created by admin on Mon Mar 31 20:24:56 GMT 2025 , Edited by admin on Mon Mar 31 20:24:56 GMT 2025

JECFA EVALUATION

2-PHENYLPROPYL ISOBUTYRATE

Created by admin on Mon Mar 31 20:24:56 GMT 2025 , Edited by admin on Mon Mar 31 20:24:56 GMT 2025

Code System Code Type Description

EPA CompTox

DTXSID30867183

Created by admin on Mon Mar 31 20:24:56 GMT 2025 , Edited by admin on Mon Mar 31 20:24:56 GMT 2025

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FDA UNII

3H4JM1983E

Created by admin on Mon Mar 31 20:24:56 GMT 2025 , Edited by admin on Mon Mar 31 20:24:56 GMT 2025

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CAS

65813-53-8

Created by admin on Mon Mar 31 20:24:56 GMT 2025 , Edited by admin on Mon Mar 31 20:24:56 GMT 2025

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PUBCHEM

576240

Created by admin on Mon Mar 31 20:24:56 GMT 2025 , Edited by admin on Mon Mar 31 20:24:56 GMT 2025

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ECHA (EC/EINECS)

265-931-9

Created by admin on Mon Mar 31 20:24:56 GMT 2025 , Edited by admin on Mon Mar 31 20:24:56 GMT 2025

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JECFA MONOGRAPH

1458

Created by admin on Mon Mar 31 20:24:56 GMT 2025 , Edited by admin on Mon Mar 31 20:24:56 GMT 2025

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