1,2-Dimethylcyclohexane

HCID 11416
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Basic information

CAS
583-57-3
Standard SMILES
CC1CCCCC1C
InChIKey
KVZJLSYJROEPSQ-UHFFFAOYSA-N
Molecular formula
C8H16
Average molar mass
112.21 g/mol
Monoisotopic mass
112.12520051

Overview

RN given refers to parent cpd without isomeric designation

Names & identifiers

Preferred name
1,2-Dimethylcyclohexane
IUPAC
1,2-dimethylcyclohexane
English name
1,2-Dimethylcyclohexane
Molecular formula
C8H16
Molecular weight
112.21

Names & synonyms

1,2-DIMETHYLCYCLOHEXANE583-57-35D8M6YR6O1DTXSID50858730NSC-43769RefChem:71980DTXCID50809464209-509-4Cyclohexane, 1,2-dimethyl-MFCD00064172Cyclohexane, 1,2-dimethyl- (cis/trans)Hexahydro-o-xylene
Show more names
hexadydro-o-xylene1,2-dimethylcyclohexane,mixtureofcisandtrans2,3-DIMETHYLCYCLOHEXANE1,2-dlmethylcyclohexane1, 2-dimethylcycloethanecyclohexane,1,2-dimethyl-
Cyclohexane, 1,2-dimethyl-; 1,2-Dimethylcyclohexane; NSC 43769; o-DimethylcyclohexaneEINECS 209-509-4o-DimethylcyclohexaneNSC 43769Cyclohexane,2-dimethyl-1,2-dimethyl-cyclohexaneSCHEMBL4468UNII-5D8M6YR6O1

Database identifiers

CAS
583-57-3
PubChem CID
11416
DTXSID
DTXSID50858730
EC Number
209-509-4
Nikkaji
J72.704K

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesDensity
Vapor Pressure14.5 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-71.62 °C · -71.62°C (estimate)
Boiling point
127 · 127-130 °C(lit.)
Density
0.793 g/mL · 0.793 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.434
Flash point
60 °F · 60 °F
storage temp.
Flammables area

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; Harmful by ingestion (may cause lung damage by aspiration); Vapors may have a narcotic effect (drowsiness and dizziness); [Alfa Aesar MSDS] See Cyclohexane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 2263 3/PG 2
hs_code
29021900
risk_code
11-65
Signal word
Danger

Chemistry & industry

Applications

Uses1,2-Dimethylcyclohexane is used in the preparation of rhodium nanoparticles as recyclable catalysts.

Upstream & downstream products

Suppliers51 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]

Related reactions

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Compound notes

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