DIISOBUTYL ADIPATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H26O4
Molecular Weight	258.3538
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=RDOFJDLLWVCMRU-UHFFFAOYSA-N

InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C14H26O4
Molecular Weight	258.3538
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Simultaneous determination of phthalates and adipates in human serum using gas chromatography-mass spectrometry with solid-phase extraction.	2010-10	20352652
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:24:34 GMT 2025` Edited by `admin` on `Mon Mar 31 19:24:34 GMT 2025`
Record UNII	8OPY05ZY7S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIISOBUTYL ADIPATE

Official Name

English

AEC DIISOBUTYL ADIPATE

Preferred Name

English

DIISOBUTYL ADIPATE [HSDB]

Common Name

English

ADIPIC ACID DI-ISO-BUTYL ESTER

Systematic Name

English

ADIPIC ACID, DIISOBUTYL ESTER

Common Name

English

HEXANEDIOIC ACID, BIS(2-METHYLPROPYL) ESTER

Common Name

English

DUB DIBA

Brand Name

English

ADIPIC ACID BIS(2-METHYLPROPYL) ESTER

Systematic Name

English

CRODAMOL DIBA

Brand Name

English

NSC-6343

Code

English

MATLUBE DIBA

Brand Name

English

HALLTRESS DIBA SPECIAL

Brand Name

English

KAK DIBA

Brand Name

English

FEMA NO. 4475

Code

English

HEXANEDIOIC ACID, 1,6-BIS(2-METHYLPROPYL) ESTER

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

DIISOBUTYL ADIPATE