NONYL ISOVALERATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H28O2
Molecular Weight	228.3709
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NONYL ISOVALERATE

Structure Search

SMILES

CCCCCCCCCOC(=O)CC(C)C

InChI

InChIKey=JHKZVDVMXZGMOX-UHFFFAOYSA-N

InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C14H28O2
Molecular Weight	228.3709
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 `Fri Dec 15 17:45:43 GMT 2023` Edited by `admin` on `Fri Dec 15 17:45:43 GMT 2023`
Record UNII	SXP0UF66RQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NONYL ISOVALERATE

Systematic Name

English

NONYL ISOPENTANOATE

Systematic Name

English

NONYL ISOVALERIANATE

Common Name

English

FEMA NO. 2791

Code

English

NONYL 3-METHYLBUTANOATE

Systematic Name

English

ISOVALERIC ACID, NONYL ESTER

Common Name

English

NONYL ISOVALERATE [FHFI]

Common Name

English

BUTANOIC ACID, 3-METHYL-, NONYL ESTER

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 17:45:43 GMT 2023 , Edited by admin on Fri Dec 15 17:45:43 GMT 2023

Code System Code Type Description

FDA UNII

SXP0UF66RQ

Created by admin on Fri Dec 15 17:45:43 GMT 2023 , Edited by admin on Fri Dec 15 17:45:43 GMT 2023

PRIMARY

EPA CompTox

DTXSID90228473

Created by admin on Fri Dec 15 17:45:43 GMT 2023 , Edited by admin on Fri Dec 15 17:45:43 GMT 2023

PRIMARY

ECHA (EC/EINECS)

232-098-8

Created by admin on Fri Dec 15 17:45:43 GMT 2023 , Edited by admin on Fri Dec 15 17:45:43 GMT 2023

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CAS

7786-47-2

Created by admin on Fri Dec 15 17:45:43 GMT 2023 , Edited by admin on Fri Dec 15 17:45:43 GMT 2023

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PUBCHEM

5463914

Created by admin on Fri Dec 15 17:45:43 GMT 2023 , Edited by admin on Fri Dec 15 17:45:43 GMT 2023

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JECFA MONOGRAPH

196

Created by admin on Fri Dec 15 17:45:43 GMT 2023 , Edited by admin on Fri Dec 15 17:45:43 GMT 2023

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