3-ETHYLCATECHOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H10O2
Molecular Weight	138.1638
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-ETHYLCATECHOL

Structure Search

SMILES

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

InChI

InChIKey=UUCQGNWZASKXNN-UHFFFAOYSA-N

InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C8H10O2
Molecular Weight	138.1638
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Initial reactions in the oxidation of ethylbenzene by Pseudomonas putida.	1973 Apr 10	4699984
Mechanism of ethylbenzene-induced mouse-specific lung tumor: metabolism of ethylbenzene by rat, mouse, and human liver and lung microsomes.	2009 Feb	19075040

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:35:18 GMT 2023` Edited by `admin` on `Fri Dec 15 19:35:18 GMT 2023`
Record UNII	DQ69AC58EV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ETHYLCATECHOL

Systematic Name

English

Code System Code Type Description

CHEBI

16572

Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023

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FDA UNII

DQ69AC58EV

Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023

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PUBCHEM

70278

Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023

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EPA CompTox

DTXSID10918521

Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023

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CAS

933-99-3

Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023

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MESH

C029721

Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023

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