3-tert-Butyl-5-methylanisole

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18O
Molecular Weight	178.2707
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-tert-Butyl-5-methylanisole

Structure Search

SMILES

COC1=CC(=CC(C)=C1)C(C)(C)C

InChI

InChIKey=SIRJAAYBSCHVTB-UHFFFAOYSA-N

InChI=1S/C12H18O/c1-9-6-10(12(2,3)4)8-11(7-9)13-5/h6-8H,1-5H3

HIDE SMILES / InChI

Molecular Formula	C12H18O
Molecular Weight	178.2707
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 `Tue Apr 01 19:14:08 GMT 2025` Edited by `admin` on `Tue Apr 01 19:14:08 GMT 2025`
Record UNII	YE7EKR9FKG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-tert-Butyl-5-methylanisole

Systematic Name

English

1-(1,1-Dimethylethyl)-3-methoxy-5-methylbenzene

Preferred Name

English

Benzene, 1-(1,1-dimethylethyl)-3-methoxy-5-methyl-

Systematic Name

English

Code System Code Type Description

CAS

52328-49-1

Created by admin on Tue Apr 01 19:14:08 GMT 2025 , Edited by admin on Tue Apr 01 19:14:08 GMT 2025

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ECHA (EC/EINECS)

257-852-3

Created by admin on Tue Apr 01 19:14:08 GMT 2025 , Edited by admin on Tue Apr 01 19:14:08 GMT 2025

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FDA UNII

YE7EKR9FKG

Created by admin on Tue Apr 01 19:14:08 GMT 2025 , Edited by admin on Tue Apr 01 19:14:08 GMT 2025

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EPA CompTox

DTXSID50200351

Created by admin on Tue Apr 01 19:14:08 GMT 2025 , Edited by admin on Tue Apr 01 19:14:08 GMT 2025

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PUBCHEM

104156

Created by admin on Tue Apr 01 19:14:08 GMT 2025 , Edited by admin on Tue Apr 01 19:14:08 GMT 2025

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