bis(1-methylcyclohexyl) benzene-1,2-dicarboxylate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H30O4
Molecular Weight	358.4712
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of bis(1-methylcyclohexyl) benzene-1,2-dicarboxylate

Structure Search

SMILES

CC1(CCCCC1)OC(=O)C2=CC=CC=C2C(=O)OC3(C)CCCCC3

InChI

InChIKey=LBKFHGHXATXEBY-UHFFFAOYSA-N

InChI=1S/C22H30O4/c1-21(13-7-3-8-14-21)25-19(23)17-11-5-6-12-18(17)20(24)26-22(2)15-9-4-10-16-22/h5-6,11-12H,3-4,7-10,13-16H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C22H30O4
Molecular Weight	358.4712
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 19:55:00 GMT 2025` Edited by `admin` on `Mon Mar 31 19:55:00 GMT 2025`
Record UNII	AE86GK6VGJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylcyclohexyl) ester

Preferred Name

English

bis(1-methylcyclohexyl) benzene-1,2-dicarboxylate

Systematic Name

English

DI(METHYLCYCLOHEXYL) PHTHALATE

Systematic Name

English

1,2-Benzenedicarboxylic acid, bis(1-methylcyclohexyl) ester

Common Name

English

1,2-Bis(1-methylcyclohexyl) 1,2-benzenedicarboxylate

Systematic Name

English

Code System Code Type Description

PUBCHEM

3034464

Created by admin on Mon Mar 31 19:55:00 GMT 2025 , Edited by admin on Mon Mar 31 19:55:00 GMT 2025

PRIMARY

ECHA (EC/EINECS)

248-765-1

Created by admin on Mon Mar 31 19:55:00 GMT 2025 , Edited by admin on Mon Mar 31 19:55:00 GMT 2025

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SMS_ID

300000053164

Created by admin on Mon Mar 31 19:55:00 GMT 2025 , Edited by admin on Mon Mar 31 19:55:00 GMT 2025

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CAS

111983-16-5

Created by admin on Mon Mar 31 19:55:00 GMT 2025 , Edited by admin on Mon Mar 31 19:55:00 GMT 2025

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EPA CompTox

DTXSID00950677

Created by admin on Mon Mar 31 19:55:00 GMT 2025 , Edited by admin on Mon Mar 31 19:55:00 GMT 2025

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FDA UNII

AE86GK6VGJ

Created by admin on Mon Mar 31 19:55:00 GMT 2025 , Edited by admin on Mon Mar 31 19:55:00 GMT 2025

PRIMARY

CAS

27987-25-3

Created by admin on Mon Mar 31 19:55:00 GMT 2025 , Edited by admin on Mon Mar 31 19:55:00 GMT 2025

NON-SPECIFIC SUBSTITUTION