BENZYL OCTYL ADIPATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H32O4
Molecular Weight	348.4764
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZYL OCTYL ADIPATE

Structure Search

SMILES

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

InChI

InChIKey=DECACTMEFWAFRE-UHFFFAOYSA-N

InChI=1S/C21H32O4/c1-2-3-4-5-6-12-17-24-20(22)15-10-11-16-21(23)25-18-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3

HIDE SMILES / InChI

Molecular Formula	C21H32O4
Molecular Weight	348.4764
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:54:18 GMT 2023` Edited by `admin` on `Fri Dec 15 18:54:18 GMT 2023`
Record UNII	MR5CLK3Y44
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZYL OCTYL ADIPATE

Systematic Name

English

HEXANEDIOIC ACID, 1-OCTYL 6-(PHENYLMETHYL) ESTER

Common Name

English

ADIMOLL BO

Brand Name

English

ADIPIC ACID, BENZYL OCTYL ESTER

Common Name

English

HEXANEDIOIC ACID, OCTYL PHENYLMETHYL ESTER

Common Name

English

Code System Code Type Description

CAS

3089-55-2

Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023

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EPA CompTox

DTXSID20184896

Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023

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ECHA (EC/EINECS)

221-431-2

Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023

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FDA UNII

MR5CLK3Y44

Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023

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PUBCHEM

76534

Created by admin on Fri Dec 15 18:54:18 GMT 2023 , Edited by admin on Fri Dec 15 18:54:18 GMT 2023

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