CITRONELLYL ACETATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H22O2
Molecular Weight	198.3019
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CITRONELLYL ACETATE

Structure Search

SMILES

CC(CCOC(C)=O)CCC=C(C)C

InChI

InChIKey=JOZKFWLRHCDGJA-UHFFFAOYSA-N

InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C12H22O2
Molecular Weight	198.3019
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 15:57:10 UTC 2023` Edited by `admin` on `Fri Dec 15 15:57:10 UTC 2023`
Record UNII	IZ420RT3OY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CITRONELLYL ACETATE

Official Name

English

ACETIC ACID, CITRONELLYL ESTER

Common Name

English

NSC-4893

Code

English

FEMA NO. 2311

Code

English

CITRONELLYL ACETATE [INCI]

Common Name

English

6-OCTEN-1-OL, 3,7-DIMETHYL-, 1-ACETATE

Common Name

English

CITRONELLYL ACETATE [FHFI]

Common Name

English

3,7-DIMETHYL-6-OCTEN-1-YL ACETATE

Systematic Name

English

CITRONELLYL ACETATE, (±)-

Systematic Name

English

2-OCTEN-8-OL, 2,6-DIMETHYL-, ACETATE

Systematic Name

English

CITRONELLYL ACETATE [FCC]

Common Name

English

(±)-CITRONELLYL ACETATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

CITRONELLYL ACETATE

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

Code System Code Type Description

DAILYMED

IZ420RT3OY

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

RXCUI

2056062

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

MESH

C040879

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

PUBCHEM

9017

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

ECHA (EC/EINECS)

205-775-0

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

FDA UNII

IZ420RT3OY

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

CAS

150-84-5

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

NSC

4893

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

EPA CompTox

DTXSID5051739

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

CHEBI

70478

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

JECFA MONOGRAPH

286

Created by admin on Fri Dec 15 15:57:10 UTC 2023 , Edited by admin on Fri Dec 15 15:57:10 UTC 2023

PRIMARY

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