BENZYLOCTYL ADIPATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H32O4
Molecular Weight	348.4764
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZYLOCTYL ADIPATE

Structure Search

SMILES

CCCCC(CC)COC(=O)CCCCC(=O)OCC1=CC=CC=C1

InChI

InChIKey=OOUQSWGHJPCRLI-UHFFFAOYSA-N

InChI=1S/C21H32O4/c1-3-5-11-18(4-2)16-24-20(22)14-9-10-15-21(23)25-17-19-12-7-6-8-13-19/h6-8,12-13,18H,3-5,9-11,14-17H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C21H32O4
Molecular Weight	348.4764
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 21:56:05 GMT 2025` Edited by `admin` on `Mon Mar 31 21:56:05 GMT 2025`
Record UNII	A36J18786W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZYL 2-ETHYLHEXYL ADIPATE

Preferred Name

English

BENZYLOCTYL ADIPATE

Systematic Name

English

HEXANEDIOIC ACID, 2-ETHYLHEXYL PHENYLMETHYL ESTER

Systematic Name

English

HEXANEDIOIC ACID, 1-(2-ETHYLHEXYL) 6-(PHENYLMETHYL) ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

94037

Created by admin on Mon Mar 31 21:56:05 GMT 2025 , Edited by admin on Mon Mar 31 21:56:05 GMT 2025

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FDA UNII

A36J18786W

Created by admin on Mon Mar 31 21:56:05 GMT 2025 , Edited by admin on Mon Mar 31 21:56:05 GMT 2025

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CAS

58394-64-2

Created by admin on Mon Mar 31 21:56:05 GMT 2025 , Edited by admin on Mon Mar 31 21:56:05 GMT 2025

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EPA CompTox

DTXSID1047528

Created by admin on Mon Mar 31 21:56:05 GMT 2025 , Edited by admin on Mon Mar 31 21:56:05 GMT 2025

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ECHA (EC/EINECS)

261-234-9

Created by admin on Mon Mar 31 21:56:05 GMT 2025 , Edited by admin on Mon Mar 31 21:56:05 GMT 2025

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