ISOPENTYL P-ANISATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O3
Molecular Weight	222.2802
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOPENTYL P-ANISATE

Structure Search

SMILES

COC1=CC=C(C=C1)C(=O)OCCC(C)C

InChI

InChIKey=FVMBSMBXEVMMGH-UHFFFAOYSA-N

InChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H18O3
Molecular Weight	222.2802
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 18:40:37 GMT 2025` Edited by `admin` on `Mon Mar 31 18:40:37 GMT 2025`
Record UNII	6TV0K78U1O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOPENTYL P-ANISATE

Common Name

English

ISOPENTYL ALCOHOL, P-ANISATE

Preferred Name

English

P-ANISIC ACID, ISOPENTYL ESTER

Common Name

English

BENZOIC ACID, 4-METHOXY-, 3-METHYLBUTYL ESTER

Systematic Name

English

3-METHYLBUTYL 4-METHOXYBENZOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

6TV0K78U1O

Created by admin on Mon Mar 31 18:40:37 GMT 2025 , Edited by admin on Mon Mar 31 18:40:37 GMT 2025

PRIMARY

CAS

27739-29-3

Created by admin on Mon Mar 31 18:40:37 GMT 2025 , Edited by admin on Mon Mar 31 18:40:37 GMT 2025

PRIMARY

PUBCHEM

119709

Created by admin on Mon Mar 31 18:40:37 GMT 2025 , Edited by admin on Mon Mar 31 18:40:37 GMT 2025

PRIMARY

ECHA (EC/EINECS)

248-633-3

Created by admin on Mon Mar 31 18:40:37 GMT 2025 , Edited by admin on Mon Mar 31 18:40:37 GMT 2025

PRIMARY

EPA CompTox

DTXSID00950435

Created by admin on Mon Mar 31 18:40:37 GMT 2025 , Edited by admin on Mon Mar 31 18:40:37 GMT 2025

PRIMARY