METHYL P-TERT-BUTYLPHENYLACETATE

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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 METHYL P-TERT-BUTYLPHENYLACETATE

Structure Search

SMILES

COC(=O)CC1=CC=C(C=C1)C(C)(C)C

InChI

InChIKey=HXVTYMWVMVKVTF-UHFFFAOYSA-N

InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3

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

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:00:28 GMT 2025` Edited by `admin` on `Mon Mar 31 19:00:28 GMT 2025`
Record UNII	8A4H5QO9OJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHYL P-TERT-BUTYLPHENYLACETATE

Common Name

English

FEMA NO. 2690

Preferred Name

English

BENZENEACETIC ACID, 4-(1,1-DIMETHYLETHYL)-, METHYL ESTER

Common Name

English

(4-TERT-BUTYLPHENYL)ACETIC ACID METHYL ESTER

Systematic Name

English

METHYL 4-TERT-BUTYLBENZENEACETATE

Systematic Name

English

METHYL P-TERT-BUTYLPHENYLACETATE [FHFI]

Common Name

English

ACETIC ACID, (P-TERT-BUTYLPHENYL)-, METHYL ESTER

Common Name

English

METHYL 4-TERT-BUTYLPHENYLACETATE

Systematic Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

Code System Code Type Description

SMS_ID

100000174533

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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ECHA (EC/EINECS)

222-602-4

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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JECFA MONOGRAPH

958

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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FDA UNII

8A4H5QO9OJ

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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PUBCHEM

605629

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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CAS

3549-23-3

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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EPA CompTox

DTXSID0063070

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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