2-METHYL-4-PHENYL-2-ACETOXYBUTANE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O2
Molecular Weight	206.2808
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYL-4-PHENYL-2-ACETOXYBUTANE

Structure Search

SMILES

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

InChI

InChIKey=ZXFNOEJFYLQUSB-UHFFFAOYSA-N

InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H18O2
Molecular Weight	206.2808
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 `Mon Mar 31 19:23:32 GMT 2025` Edited by `admin` on `Mon Mar 31 19:23:32 GMT 2025`
Record UNII	9YRG98MG30
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-METHYL-4-PHENYL-2-ACETOXYBUTANE

Systematic Name

English

2-METHYL-4-PHENYL-2-BUTYL ACETATE

Preferred Name

English

FEMA NO. 2735

Code

English

2-METHYL-4-PHENYL-2-BUTYL ACETATE [FHFI]

Common Name

English

1,1-DIMETHYL-3-PHENYLPROPYL ACETATE

Systematic Name

English

BENZENEPROPANOL, ALPHA,ALPHA-DIMETHYL-, 1-ACETATE

Common Name

English

METHYL-4-PHENYL-2-BUTYL ACETATE, 2-

Systematic Name

English

DIMETHYLPHENYLETHYL CARBINYL ACETATE

Common Name

English

ACETIC ACID, (1,1-DIMETHYL-3-PHENYLPROPYL) ESTER

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515

Created by admin on Mon Mar 31 19:23:32 GMT 2025 , Edited by admin on Mon Mar 31 19:23:32 GMT 2025

Code System Code Type Description

JECFA MONOGRAPH

1448

Created by admin on Mon Mar 31 19:23:32 GMT 2025 , Edited by admin on Mon Mar 31 19:23:32 GMT 2025

PRIMARY

ECHA (EC/EINECS)

203-077-0

Created by admin on Mon Mar 31 19:23:32 GMT 2025 , Edited by admin on Mon Mar 31 19:23:32 GMT 2025

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PUBCHEM

7633

Created by admin on Mon Mar 31 19:23:32 GMT 2025 , Edited by admin on Mon Mar 31 19:23:32 GMT 2025

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CAS

103-07-1

Created by admin on Mon Mar 31 19:23:32 GMT 2025 , Edited by admin on Mon Mar 31 19:23:32 GMT 2025

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EPA CompTox

DTXSID6051518

Created by admin on Mon Mar 31 19:23:32 GMT 2025 , Edited by admin on Mon Mar 31 19:23:32 GMT 2025

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FDA UNII

9YRG98MG30

Created by admin on Mon Mar 31 19:23:32 GMT 2025 , Edited by admin on Mon Mar 31 19:23:32 GMT 2025

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