Bis(3-methylbutyl) sebacate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H38O4
Molecular Weight	342.5133
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Bis(3-methylbutyl) sebacate

Structure Search

SMILES

CC(C)CCOC(=O)CCCCCCCCC(=O)OCCC(C)C

InChI

InChIKey=AZTORLUDPYUCLK-UHFFFAOYSA-N

InChI=1S/C20H38O4/c1-17(2)13-15-23-19(21)11-9-7-5-6-8-10-12-20(22)24-16-14-18(3)4/h17-18H,5-16H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C20H38O4
Molecular Weight	342.5133
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 `Tue Apr 01 18:44:06 GMT 2025` Edited by `admin` on `Tue Apr 01 18:44:06 GMT 2025`
Record UNII	P6L32H24V3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bis(3-methylbutyl) sebacate

Systematic Name

English

1,10-Bis(3-methylbutyl) decanedioate

Preferred Name

English

Decanedioic acid, 1,10-bis(3-methylbutyl) ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

233-736-8

Created by admin on Tue Apr 01 18:44:06 GMT 2025 , Edited by admin on Tue Apr 01 18:44:06 GMT 2025

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CAS

10340-42-8

Created by admin on Tue Apr 01 18:44:06 GMT 2025 , Edited by admin on Tue Apr 01 18:44:06 GMT 2025

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EPA CompTox

DTXSID90145818

Created by admin on Tue Apr 01 18:44:06 GMT 2025 , Edited by admin on Tue Apr 01 18:44:06 GMT 2025

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PUBCHEM

82557

Created by admin on Tue Apr 01 18:44:06 GMT 2025 , Edited by admin on Tue Apr 01 18:44:06 GMT 2025

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FDA UNII

P6L32H24V3

Created by admin on Tue Apr 01 18:44:06 GMT 2025 , Edited by admin on Tue Apr 01 18:44:06 GMT 2025

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