4-METHYLCATECHOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8O2
Molecular Weight	124.1372
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYLCATECHOL

Structure Search

SMILES

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

InChI

InChIKey=ZBCATMYQYDCTIZ-UHFFFAOYSA-N

InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3

HIDE SMILES / InChI

Molecular Formula	C7H8O2
Molecular Weight	124.1372
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 `Fri Dec 15 18:11:12 UTC 2023` Edited by `admin` on `Fri Dec 15 18:11:12 UTC 2023`
Record UNII	12GLI7JGB3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHYLCATECHOL

Systematic Name

English

METHYL CATECHOL, 4-

Common Name

English

P-METHYLCATECHOL

Common Name

English

3,4-DIHYDROXYTOLUENE

Systematic Name

English

TOLUENE-3,4-DIOL

Systematic Name

English

HOMOPYROCATECHOL

Common Name

English

DROXIDOPA METABOLITE (3,4-DIHYDROXYTOLUENE)

Common Name

English

1,2-DIHYDROXY-4-METHYLBENZENE

Systematic Name

English

NSC-17489

Code

English

PYROCATECHOL, 4-METHYL-

Systematic Name

English

HMDB00873

Code

English

1,2-BENZENEDIOL, 4-METHYL-

Systematic Name

English

1-METHYL-3,4-DIHYDROXYBENZENE

Systematic Name

English

4-METHYL-1,2-BENZENEDIOL

Systematic Name

English

2-HYDROXY-4-METHYLPHENOL

Systematic Name

English

Code System Code Type Description

MESH

C018599

Created by admin on Fri Dec 15 18:11:12 UTC 2023 , Edited by admin on Fri Dec 15 18:11:12 UTC 2023

PRIMARY

ECHA (EC/EINECS)

207-214-5

Created by admin on Fri Dec 15 18:11:12 UTC 2023 , Edited by admin on Fri Dec 15 18:11:12 UTC 2023

PRIMARY

NSC

17489

Created by admin on Fri Dec 15 18:11:12 UTC 2023 , Edited by admin on Fri Dec 15 18:11:12 UTC 2023

PRIMARY

CAS

452-86-8

Created by admin on Fri Dec 15 18:11:12 UTC 2023 , Edited by admin on Fri Dec 15 18:11:12 UTC 2023

PRIMARY

CHEBI

17254

Created by admin on Fri Dec 15 18:11:12 UTC 2023 , Edited by admin on Fri Dec 15 18:11:12 UTC 2023

PRIMARY

PUBCHEM

9958

Created by admin on Fri Dec 15 18:11:12 UTC 2023 , Edited by admin on Fri Dec 15 18:11:12 UTC 2023

PRIMARY

EPA CompTox

DTXSID5020861

Created by admin on Fri Dec 15 18:11:12 UTC 2023 , Edited by admin on Fri Dec 15 18:11:12 UTC 2023

PRIMARY

WIKIPEDIA

4-Methylcatechol

Created by admin on Fri Dec 15 18:11:12 UTC 2023 , Edited by admin on Fri Dec 15 18:11:12 UTC 2023

PRIMARY

FDA UNII

12GLI7JGB3

Created by admin on Fri Dec 15 18:11:12 UTC 2023 , Edited by admin on Fri Dec 15 18:11:12 UTC 2023

PRIMARY

DRUG BANK

DB04120

Created by admin on Fri Dec 15 18:11:12 UTC 2023 , Edited by admin on Fri Dec 15 18:11:12 UTC 2023

PRIMARY

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					9BPR10844H

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Compound was 34 ug of the yeild of the HTT fraction collected from tobacco smoke. Compound was detected by LTT and derived from the bright tobacco and sample of compound was found to be 128 ug/g.


					6TC6NN0876

STEVIA REBAUDIUNA LEAF

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

4-Methylcatechol content for water extract of plant leaf was 25.61+/-0.26 and plant callus was 3.27+/-0.13 expressed as mg/100 g of dry base of extract. For the analysis of phenolic acids, a Nova pack C18 UG120 equipped with a Guard column, a JASCO HPLC system consisting of a column oven, a UV-Vis diode array detector set at 280 nm, a Liquid chromatography pump and a ChromNAV software program were used.

Related Record Type Details


					J7A92W69L7

DROXIDOPA

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Amount:


					5G06TVY3R7

RUTIN

PARENT -> METABOLITE

Interaction Type:

IN-VIVO

Qualification:

URINE