CITRONELLYL BUTYRATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H26O2
Molecular Weight	226.355
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)OCCC(C)CCC=C(C)C

InChI

InChIKey=XQPZQXTWYZAXAK-UHFFFAOYSA-N

InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C14H26O2
Molecular Weight	226.355
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Water soluble fractions of rose-scented geranium (Pelargonium species) essential oil.	2002 Sep	12118700
Enantioselective transacetylation of (R,S)-beta-citronellol by propanol rinsed immobilized Rhizomucor miehei lipase.	2007 Apr 18	17880741

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:53:41 GMT 2023` Edited by `admin` on `Fri Dec 15 16:53:41 GMT 2023`
Record UNII	IY68QPD54V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CITRONELLYL BUTYRATE

Systematic Name

English

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

Systematic Name

English

(±)-CITRONELLYL BUTYRATE

Systematic Name

English

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

Common Name

English

NSC-46147

Code

English

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

Common Name

English

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

Common Name

English

CITRONELLYL BUTYRATE [FCC]

Common Name

English

CITRONELLYL BUTYRATE, (±)-

Systematic Name

English

FEMA NO. 2312

Code

English

CITRONELLYL BUTYRATE [FHFI]

Common Name

English

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

Systematic Name

English

(1)-3,7-DIMETHYLOCT-6-ENYL BUTYRATE

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515