DIISOBUTYL ITACONATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H22O4
Molecular Weight	242.3114
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIISOBUTYL ITACONATE

Structure Search

SMILES

CC(C)COC(=O)CC(=C)C(=O)OCC(C)C

InChI

InChIKey=JYMCPGMXHKUZGC-UHFFFAOYSA-N

InChI=1S/C13H22O4/c1-9(2)7-16-12(14)6-11(5)13(15)17-8-10(3)4/h9-10H,5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C13H22O4
Molecular Weight	242.3114
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 21:52:39 GMT 2025` Edited by `admin` on `Mon Mar 31 21:52:39 GMT 2025`
Record UNII	J46J5KB8ZJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIISOBUTYL ITACONATE

Common Name

English

NSC-48189

Preferred Name

English

BUTANEDIOIC ACID, METHYLENE-, BIS(2-METHYLPROPYL) ESTER

Systematic Name

English

BUTANEDIOIC ACID, 2-METHYLENE-, 1,4-BIS(2-METHYLPROPYL) ESTER

Systematic Name

English

2-METHYLENE-BUTANEDIOIC ACID, 1,4-BIS(2-METHYLPROPYL) ESTER

Systematic Name

English

Code System Code Type Description

CAS

56525-14-5

Created by admin on Mon Mar 31 21:52:39 GMT 2025 , Edited by admin on Mon Mar 31 21:52:39 GMT 2025

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FDA UNII

J46J5KB8ZJ

Created by admin on Mon Mar 31 21:52:39 GMT 2025 , Edited by admin on Mon Mar 31 21:52:39 GMT 2025

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EPA CompTox

DTXSID10286893

Created by admin on Mon Mar 31 21:52:39 GMT 2025 , Edited by admin on Mon Mar 31 21:52:39 GMT 2025

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NSC

48189

Created by admin on Mon Mar 31 21:52:39 GMT 2025 , Edited by admin on Mon Mar 31 21:52:39 GMT 2025

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PUBCHEM

241087

Created by admin on Mon Mar 31 21:52:39 GMT 2025 , Edited by admin on Mon Mar 31 21:52:39 GMT 2025

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