5-tert-Butyl-3-methylcatechol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H16O2
Molecular Weight	180.2435
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-tert-Butyl-3-methylcatechol

Structure Search

SMILES

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

InChI

InChIKey=PMRGVXIRSTVLJS-UHFFFAOYSA-N

InChI=1S/C11H16O2/c1-7-5-8(11(2,3)4)6-9(12)10(7)13/h5-6,12-13H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C11H16O2
Molecular Weight	180.2435
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 19:10:06 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:06 GMT 2025`
Record UNII	T7G7LZ2TKM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-tert-Butyl-3-methylcatechol

Systematic Name

English

NSC-116690

Preferred Name

English

5-(1,1-Dimethylethyl)-3-methyl-1,2-benzenediol

Systematic Name

English

1,2-Benzenediol, 5-(1,1-dimethylethyl)-3-methyl-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20176655

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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NSC

116690

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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FDA UNII

T7G7LZ2TKM

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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ECHA (EC/EINECS)

218-668-9

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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CAS

2213-66-3

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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PUBCHEM

75173

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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