1-PHENYL-3-ACETOXYBUTANE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H16O2
Molecular Weight	192.2542
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-PHENYL-3-ACETOXYBUTANE

Structure Search

SMILES

CC(CCC1=CC=CC=C1)OC(C)=O

InChI

InChIKey=IVEWTAOGAGBQGG-UHFFFAOYSA-N

InChI=1S/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H16O2
Molecular Weight	192.2542
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 `Mon Mar 31 20:15:26 GMT 2025` Edited by `admin` on `Mon Mar 31 20:15:26 GMT 2025`
Record UNII	7BV1134YBV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-PHENYL-3-ACETOXYBUTANE

Systematic Name

English

4-PHENYL-2-BUTYL ACETATE

Preferred Name

English

2-BUTANOL, 4-PHENYL-, ACETATE

Systematic Name

English

FEMA NO. 2882

Code

English

4-PHENYL-2-BUTYL ACETATE [FHFI]

Common Name

English

1-METHYL-3-PHENYLPROPYL ACETATE

Systematic Name

English

BENZENEPROPANOL, .ALPHA.-METHYL-, ACETATE

Systematic Name

English

(±)-4-PHENYL-2-BUTYL ACETATE

Systematic Name

English

BENZENEPROPANOL, .ALPHA.-METHYL-, 1-ACETATE

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

4-PHENYL-2-BUTYL ACETATE

Created by admin on Mon Mar 31 20:15:26 GMT 2025 , Edited by admin on Mon Mar 31 20:15:26 GMT 2025

CFR

21 CFR 172.515

Created by admin on Mon Mar 31 20:15:26 GMT 2025 , Edited by admin on Mon Mar 31 20:15:26 GMT 2025

Code System Code Type Description

EPA CompTox

DTXSID20864267

Created by admin on Mon Mar 31 20:15:26 GMT 2025 , Edited by admin on Mon Mar 31 20:15:26 GMT 2025

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PUBCHEM

61517

Created by admin on Mon Mar 31 20:15:26 GMT 2025 , Edited by admin on Mon Mar 31 20:15:26 GMT 2025

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JECFA MONOGRAPH

806

Created by admin on Mon Mar 31 20:15:26 GMT 2025 , Edited by admin on Mon Mar 31 20:15:26 GMT 2025

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FDA UNII

7BV1134YBV

Created by admin on Mon Mar 31 20:15:26 GMT 2025 , Edited by admin on Mon Mar 31 20:15:26 GMT 2025

PRIMARY

ECHA (EC/EINECS)

233-890-6

Created by admin on Mon Mar 31 20:15:26 GMT 2025 , Edited by admin on Mon Mar 31 20:15:26 GMT 2025

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CAS

10415-88-0

Created by admin on Mon Mar 31 20:15:26 GMT 2025 , Edited by admin on Mon Mar 31 20:15:26 GMT 2025

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