CITRONELLYL VALERATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H28O2
Molecular Weight	240.3816
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CITRONELLYL VALERATE

Structure Search

SMILES

CCCCC(=O)OCCC(C)CCC=C(C)C

InChI

InChIKey=PFOJEJPZUVQHEH-UHFFFAOYSA-N

InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C15H28O2
Molecular Weight	240.3816
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:15:49 GMT 2023` Edited by `admin` on `Fri Dec 15 18:15:49 GMT 2023`
Record UNII	43TPH8V20B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CITRONELLYL VALERATE

Systematic Name

English

PENTANOIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTER

Common Name

English

CITRONELLYL VALERATE, (±)-

Systematic Name

English

(±)-CITRONELLYL VALERATE

Systematic Name

English

FEMA NO. 2317

Code

English

CITRONELLYL VALERATE [FHFI]

Common Name

English

3,7-DIMETHYLOCT-6-ENYL VALERATE

Systematic Name

English

CITRONELLYL PENTANOATE

Systematic Name

English

PENTANOIC ACID, 3,7-DIMETHYL-6-OCTEN-1-YL ESTER

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023

JECFA EVALUATION

CITRONELLYL VALERATE

Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID00864088

Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023

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FDA UNII

43TPH8V20B

Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023

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PUBCHEM

61416

Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023

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ECHA (EC/EINECS)

231-416-2

Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023

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JECFA MONOGRAPH

549

Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023

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CAS

7540-53-6

Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023

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