4-Isopropylbenzyl phenylacetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H20O2
Molecular Weight	268.3502
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Isopropylbenzyl phenylacetate

Structure Search

SMILES

CC(C)C1=CC=C(COC(=O)CC2=CC=CC=C2)C=C1

InChI

InChIKey=YLYZPMRGUDMETE-UHFFFAOYSA-N

InChI=1S/C18H20O2/c1-14(2)17-10-8-16(9-11-17)13-20-18(19)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Benzeneacetic acid, [4-(1-methylethyl)phenyl]methyl ester

Preferred Name

English

4-Isopropylbenzyl phenylacetate

Systematic Name

English

[4-(1-Methylethyl)phenyl]methyl benzeneacetate

Systematic Name

English

Code System Code Type Description

PUBCHEM

3023427

Created by admin on Tue Apr 01 19:10:56 GMT 2025 , Edited by admin on Tue Apr 01 19:10:56 GMT 2025

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CAS

94087-24-8

Created by admin on Tue Apr 01 19:10:56 GMT 2025 , Edited by admin on Tue Apr 01 19:10:56 GMT 2025

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EPA CompTox

DTXSID90240413

Created by admin on Tue Apr 01 19:10:56 GMT 2025 , Edited by admin on Tue Apr 01 19:10:56 GMT 2025

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FDA UNII

D7UM63DF23

Created by admin on Tue Apr 01 19:10:56 GMT 2025 , Edited by admin on Tue Apr 01 19:10:56 GMT 2025

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ECHA (EC/EINECS)

301-917-1

Created by admin on Tue Apr 01 19:10:56 GMT 2025 , Edited by admin on Tue Apr 01 19:10:56 GMT 2025

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SUBSTANCE RECORD


					D7UM63DF23

4-Isopropylbenzyl phenylacetate