3,5-Diisopropylpyrocatechol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18O2
Molecular Weight	194.2701
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,5-Diisopropylpyrocatechol

Structure Search

SMILES

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

InChI

InChIKey=VMYLKGAEBQHVPE-UHFFFAOYSA-N

InChI=1S/C12H18O2/c1-7(2)9-5-10(8(3)4)12(14)11(13)6-9/h5-8,13-14H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C12H18O2
Molecular Weight	194.2701
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 `Wed Apr 02 17:24:47 GMT 2025` Edited by `admin` on `Wed Apr 02 17:24:47 GMT 2025`
Record UNII	G7Z5WUX63N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-59850

Preferred Name

English

3,5-Diisopropylpyrocatechol

Systematic Name

English

1,2-Benzenediol, 3,5-bis(1-methylethyl)-

Systematic Name

English

3,5-Bis(1-methylethyl)-1,2-benzenediol

Systematic Name

English

Code System Code Type Description

CAS

2138-49-0

Created by admin on Wed Apr 02 17:24:47 GMT 2025 , Edited by admin on Wed Apr 02 17:24:47 GMT 2025

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NSC

59850

Created by admin on Wed Apr 02 17:24:47 GMT 2025 , Edited by admin on Wed Apr 02 17:24:47 GMT 2025

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PUBCHEM

75058

Created by admin on Wed Apr 02 17:24:47 GMT 2025 , Edited by admin on Wed Apr 02 17:24:47 GMT 2025

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FDA UNII

G7Z5WUX63N

Created by admin on Wed Apr 02 17:24:47 GMT 2025 , Edited by admin on Wed Apr 02 17:24:47 GMT 2025

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EPA CompTox

DTXSID40175645

Created by admin on Wed Apr 02 17:24:47 GMT 2025 , Edited by admin on Wed Apr 02 17:24:47 GMT 2025

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ECHA (EC/EINECS)

218-386-6

Created by admin on Wed Apr 02 17:24:47 GMT 2025 , Edited by admin on Wed Apr 02 17:24:47 GMT 2025

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