1,4,5-TRIMETHYLNAPHTHALENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H14
Molecular Weight	170.2503
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,4,5-TRIMETHYLNAPHTHALENE

Structure Search

SMILES

CC1=CC=CC2=C(C)C=CC(C)=C12

InChI

InChIKey=FSAWRQYDMHSDRN-UHFFFAOYSA-N

InChI=1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H14
Molecular Weight	170.2503
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
Oxidation in three-liquid-phase microemulsion systems using "Balanced Catalytic Surfactants".	2008-11-12	18855468
Estimation of selected physicochemical properties for methylated naphthalene compounds.	2003-08	12757788

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:13:48 GMT 2025` Edited by `admin` on `Mon Mar 31 19:13:48 GMT 2025`
Record UNII	E310186658
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,4,5-TRIMETHYLNAPHTHALENE

Systematic Name

English

NAPHTHALENE, 1,4,5-TRIMETHYL-

Preferred Name

English

Code System Code Type Description

PUBCHEM

16478

Created by admin on Mon Mar 31 19:13:48 GMT 2025 , Edited by admin on Mon Mar 31 19:13:48 GMT 2025

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CAS

2131-41-1

Created by admin on Mon Mar 31 19:13:48 GMT 2025 , Edited by admin on Mon Mar 31 19:13:48 GMT 2025

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FDA UNII

E310186658

Created by admin on Mon Mar 31 19:13:48 GMT 2025 , Edited by admin on Mon Mar 31 19:13:48 GMT 2025

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EPA CompTox

DTXSID50175575

Created by admin on Mon Mar 31 19:13:48 GMT 2025 , Edited by admin on Mon Mar 31 19:13:48 GMT 2025

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ECHA (EC/EINECS)

218-356-2

Created by admin on Mon Mar 31 19:13:48 GMT 2025 , Edited by admin on Mon Mar 31 19:13:48 GMT 2025

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