ALLYL HEXANOATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H16O2
Molecular Weight	156.2221
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLYL HEXANOATE

Structure Search

SMILES

CCCCCC(=O)OCC=C

InChI

InChIKey=RCSBILYQLVXLJG-UHFFFAOYSA-N

InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H16O2
Molecular Weight	156.2221
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
Semantic knowledge influences prewired hedonic responses to odors.	2010-11-08	21079734
The effects of vehicles on the human dermal irritation potentials of allyl esters.	2006-05-24	16717034
Olfactory event-related potentials in patients with brain tumors.	2001-08	11459693
Allyl compounds selectively killed human immunodeficiency virus (type 1)-infected cells.	1993-07-30	8343148

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:40:02 GMT 2025` Edited by `admin` on `Mon Mar 31 18:40:02 GMT 2025`
Record UNII	3VH84A363D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ALLYL CAPROATE

Preferred Name

English

ALLYL HEXANOATE

Systematic Name

English

FEMA NO. 2032

Code

English

HEXANOIC ACID, 2-PROPENYL ESTER

Common Name

English

2-PROPENYL HEXANOATE

Systematic Name

English

NSC-20962

Code

English

ALLYL HEXANOATE [FHFI]

Common Name

English

ALLYL HEXANOATE [FCC]

Common Name

English

HEXANOIC ACID, ALLYL ESTER

Common Name

English

HEXANOIC ACID, 2-PROPEN-1-YL ESTER

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

ALLYL HEXANOATE

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

CFR

21 CFR 172.515

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

Code System Code Type Description

EPA CompTox

DTXSID1047653

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

PRIMARY

DAILYMED

3VH84A363D

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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JECFA MONOGRAPH

329

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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FDA UNII

3VH84A363D

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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MESH

C016972

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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SMS_ID

100000138727

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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PUBCHEM

31266

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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CAS

123-68-2

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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WIKIPEDIA

ALLYL HEXANOATE

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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NSC

20962

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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EVMPD

SUB78441

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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RXCUI

1807113

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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ECHA (EC/EINECS)

204-642-4

Created by admin on Mon Mar 31 18:40:02 GMT 2025 , Edited by admin on Mon Mar 31 18:40:02 GMT 2025

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