3-Phenylbut-3-enyl acetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14O2
Molecular Weight	190.2384
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Phenylbut-3-enyl acetate

Structure Search

SMILES

CC(=O)OCCC(=C)C1=CC=CC=C1

InChI

InChIKey=RIKRCGVPSVKZJW-UHFFFAOYSA-N

InChI=1S/C12H14O2/c1-10(8-9-14-11(2)13)12-6-4-3-5-7-12/h3-7H,1,8-9H2,2H3

HIDE SMILES / InChI

Molecular Formula	C12H14O2
Molecular Weight	190.2384
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 `Sat Dec 16 08:30:57 GMT 2023` Edited by `admin` on `Sat Dec 16 08:30:57 GMT 2023`
Record UNII	5D4Q59F4T2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Phenylbut-3-enyl acetate

Systematic Name

English

3-Buten-1-ol, 3-phenyl-, acetate

Systematic Name

English

1-Acetoxy-3-phenyl-but-3-ene

Systematic Name

English

Benzenepropanol, γ-methylene-, 1-acetate

Systematic Name

English

2-Phenyl-1-buten-4-yl acetate

Systematic Name

English

Code System Code Type Description

FDA UNII

5D4Q59F4T2

Created by admin on Sat Dec 16 08:30:58 GMT 2023 , Edited by admin on Sat Dec 16 08:30:58 GMT 2023

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CAS

7306-12-9

Created by admin on Sat Dec 16 08:30:58 GMT 2023 , Edited by admin on Sat Dec 16 08:30:58 GMT 2023

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ECHA (EC/EINECS)

230-755-3

Created by admin on Sat Dec 16 08:30:58 GMT 2023 , Edited by admin on Sat Dec 16 08:30:58 GMT 2023

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EPA CompTox

DTXSID4052473

Created by admin on Sat Dec 16 08:30:58 GMT 2023 , Edited by admin on Sat Dec 16 08:30:58 GMT 2023

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PUBCHEM

81739

Created by admin on Sat Dec 16 08:30:58 GMT 2023 , Edited by admin on Sat Dec 16 08:30:58 GMT 2023

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