OCTYL BENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H22O2
Molecular Weight	234.334
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OCTYL BENZOATE

Structure Search

SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1

InChI

InChIKey=VECVSKFWRQYTAL-UHFFFAOYSA-N

InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3

HIDE SMILES / InChI

Molecular Formula	C15H22O2
Molecular Weight	234.334
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 22:46:06 GMT 2025` Edited by `admin` on `Mon Mar 31 22:46:06 GMT 2025`
Record UNII	8JQ9R1SYRZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCTYL BENZOATE

Systematic Name

English

NSC-21846

Preferred Name

English

N-OCTYL BENZOAT

Common Name

English

CAPRYL BENZOATE

Common Name

English

BENZOIC ACID, OCTYL ESTER

Systematic Name

English

BENZOIC ACID 1-OCTANYL ESTER

Systematic Name

English

1-OCTYL BENZOATE

Systematic Name

English

OCTYL ALCOHOL, BENZOATE

Systematic Name

English

DENA PF 681

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID1059103

Created by admin on Mon Mar 31 22:46:06 GMT 2025 , Edited by admin on Mon Mar 31 22:46:06 GMT 2025

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ECHA (EC/EINECS)

202-339-1

Created by admin on Mon Mar 31 22:46:06 GMT 2025 , Edited by admin on Mon Mar 31 22:46:06 GMT 2025

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NSC

21846

Created by admin on Mon Mar 31 22:46:06 GMT 2025 , Edited by admin on Mon Mar 31 22:46:06 GMT 2025

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FDA UNII

8JQ9R1SYRZ

Created by admin on Mon Mar 31 22:46:06 GMT 2025 , Edited by admin on Mon Mar 31 22:46:06 GMT 2025

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CAS

94-50-8

Created by admin on Mon Mar 31 22:46:06 GMT 2025 , Edited by admin on Mon Mar 31 22:46:06 GMT 2025

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PUBCHEM

66751

Created by admin on Mon Mar 31 22:46:06 GMT 2025 , Edited by admin on Mon Mar 31 22:46:06 GMT 2025

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CHEBI

156236

Created by admin on Mon Mar 31 22:46:06 GMT 2025 , Edited by admin on Mon Mar 31 22:46:06 GMT 2025

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