CETYL BENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H38O2
Molecular Weight	346.5466
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CETYL BENZOATE

Structure Search

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1

InChI

InChIKey=RAMRROOXFMYSNA-UHFFFAOYSA-N

InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3

HIDE SMILES / InChI

Molecular Formula	C23H38O2
Molecular Weight	346.5466
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
Metabolites from the biodegradation of 1,6-hexanediol dibenzoate, a potential green plasticizer, by Rhodococcus rhodochrous.	2009 May	19125399

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:35:31 GMT 2023` Edited by `admin` on `Fri Dec 15 18:35:31 GMT 2023`
Record UNII	Z27Z1043IX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CETYL BENZOATE

Systematic Name

English

1-HEXADECANOL, BENZOATE

Systematic Name

English

HEXADECYL BENZOATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

11551966

Created by admin on Fri Dec 15 18:35:31 GMT 2023 , Edited by admin on Fri Dec 15 18:35:31 GMT 2023

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EPA CompTox

DTXSID401021180

Created by admin on Fri Dec 15 18:35:31 GMT 2023 , Edited by admin on Fri Dec 15 18:35:31 GMT 2023

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FDA UNII

Z27Z1043IX

Created by admin on Fri Dec 15 18:35:31 GMT 2023 , Edited by admin on Fri Dec 15 18:35:31 GMT 2023

PRIMARY

CHEBI

145972

Created by admin on Fri Dec 15 18:35:31 GMT 2023 , Edited by admin on Fri Dec 15 18:35:31 GMT 2023

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CAS

22485-54-7

Created by admin on Fri Dec 15 18:35:31 GMT 2023 , Edited by admin on Fri Dec 15 18:35:31 GMT 2023

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