CYCLOHEXANEDIOL DICAPRYLATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H40O4
Molecular Weight	368.5506
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYCLOHEXANEDIOL DICAPRYLATE

Structure Search

SMILES

CCCCCCCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)CCCCCCC

InChI

InChIKey=ZZXQJVZDWCYXRS-WOJBJXKFSA-N

InChI=1S/C22H40O4/c1-3-5-7-9-11-17-21(23)25-19-15-13-14-16-20(19)26-22(24)18-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H40O4
Molecular Weight	368.5506
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:22:43 GMT 2025` Edited by `admin` on `Mon Mar 31 21:22:43 GMT 2025`
Record UNII	BZF81L3PHS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MELATEIN X-3

Preferred Name

English

CYCLOHEXANEDIOL DICAPRYLATE

Official Name

English

OCTANOIC ACID, 1,2-CYCLOHEXANEDIYL ESTER, TRANS-(±)-

Common Name

English

TRANS-1,2-BIS-OCTANOYLOXY-CYCLOHEXYL ESTER

Common Name

English

OCTANOIC ACID, 1,1'-(1R,2R)-1,2-CYCLOHEXANEDIYL ESTER, REL-

Common Name

English

Code System Code Type Description

PUBCHEM

68537169

Created by admin on Mon Mar 31 21:22:43 GMT 2025 , Edited by admin on Mon Mar 31 21:22:43 GMT 2025

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EPA CompTox

DTXSID60229694

Created by admin on Mon Mar 31 21:22:43 GMT 2025 , Edited by admin on Mon Mar 31 21:22:43 GMT 2025

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CAS

79455-20-2

Created by admin on Mon Mar 31 21:22:43 GMT 2025 , Edited by admin on Mon Mar 31 21:22:43 GMT 2025

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FDA UNII

BZF81L3PHS

Created by admin on Mon Mar 31 21:22:43 GMT 2025 , Edited by admin on Mon Mar 31 21:22:43 GMT 2025

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