CINNAMYL BUTYRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16O2
Molecular Weight	204.2649
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	Assumed E-isomer (MM2 minimum energy of E and Z are 8.1745 and 12.8451 kcal/mol)

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)OC\C=C\C1=CC=CC=C1

InChI

InChIKey=YZYPQKZWNXANRB-UXBLZVDNSA-N

InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+

HIDE SMILES / InChI

Molecular Formula	C13H16O2
Molecular Weight	204.2649
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:10:14 GMT 2023` Edited by `admin` on `Fri Dec 15 17:10:14 GMT 2023`
Record UNII	TKZ9V37P1G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINNAMYL BUTYRATE

Systematic Name

English

FEMA NO. 2296

Code

English

CINNAMYL BUTANOATE

Systematic Name

English

CINNAMYL BUTYRATE [FHFI]

Common Name

English

BUTYRIC ACID, CINNAMYL ESTER

Common Name

English

3-PHENYL-2-PROPEN-1-YL BUTANOATE

Systematic Name

English

BUTANOIC ACID, 3-PHENYL-2-PROPENYL ESTER

Common Name

English

NSC-30528

Code

English

BUTANOIC ACID, 3-PHENYL-2-PROPEN-1-YL ESTER

Common Name

English

CINNAMYL BUTYRATE [FCC]

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515