1,2-Dimethylnaphthalene

HCID 11317
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
28804-88-8
Standard SMILES
Cc1ccc2ccccc2c1C
InChIKey
QNLZIZAQLLYXTC-UHFFFAOYSA-N
Molecular formula
C12H12
Average molar mass
156.22 g/mol
Monoisotopic mass
156.09390038

Overview

1,2-dimethylnaphthalene is a dimethylnaphthalene carrying methyl groups at positions 1 and 2.

Names & identifiers

Preferred name
1,2-Dimethylnaphthalene
IUPAC
1,2-dimethylnaphthalene
English name
Dimethylnaphthalene, mixture of isomers
Molecular formula
C12H12
Molecular weight
156.22

Names & synonyms

1,2-DIMETHYLNAPHTHALENE573-98-8Naphthalene, 1,2-dimethyl-DTXSID105871723T7O135BDNSC-59832CHEBI:34052RefChem:411790DTXCID605130209-364-7Naphthalene, dimethyl-MFCD00004035
Show more names
DIMETHYLNAPHTHALENEdimethyl-naphthalenDialkyl naphthalene2,6-DIMETHYLNAPHTHAL2,6-DimethylphthaleneMethylated naphthalene.Dimethylnaphthalene (mixture)>Dimethylnaphthalene, isomer mixturedimethylnaphthalene,mixtureofisomers
1,2-DMN1,2-Dimethyl-naphthaleneCHEMBL382541DSSTox_CID_5130DSSTox_RID_776751,2-Dimethyl naphthaleneDSSTox_GSID_25130CAS-28804-88-8

Database identifiers

CAS
28804-88-8、573-98-8
PubChem CID
11317
DTXSID
DTXSID1058717
ChEMBL
CHEMBL382541
ChEBI
CHEBI:34052
UNII
23T7O135BD
EC Number
209-364-7
Nikkaji
J45.110J

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

Chemical Classes · 2 items

Other Classes -> Naphthalenes

Volatile Organic Compound (VOC)

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.21
Physical DescriptionColorless or yellow liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
106 · 106-110 °C(lit.)
Boiling point
262 °C · 262 °C(lit.)
Density
1.01 g/mL · 1.01 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.6088(lit.)
Flash point
230 °F · >230 °F
CAS DataBase Reference
28804 · 28804-88-8(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Naphthalene, dimethyl-

Naphthalene, dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Naphthalene, 1,2-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Naphthalene.
Hazard Classes and CategoriesNot Classified

Toxicology

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3 items

1,2-Dimethylnaphthalene

Volatile Organic Compound (VOC)

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Safety data

wgk
3
tsca
TSCA listed
hs_code
2902900000
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationNaphthalene, dimethyl-: ACTIVE

Applications

UsesDimethylnaphthalene, mixture of isomers can inhibit the formation of the paraffin network structure, thus improving the fluidity of the oil.

General DescriptionDark brown liquid.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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