1,1-Dimethylcyclohexane

HCID 11549

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 27195-67-1
Standard SMILES: CC1(C)CCCCC1
InChIKey: QEGNUYASOUJEHD-UHFFFAOYSA-N
Molecular formula: C8H16
Average molar mass: 112.21 g/mol
Monoisotopic mass: 112.12520051

Overview

1,1-dimethyl-Cyclohexane is a cycloalkane.

Names & identifiers

Preferred name: 1,1-Dimethylcyclohexane
IUPAC: 1,1-dimethylcyclohexane
English name: 11,1-Dimethylcyclohexane
Molecular formula: C8H16
Molecular weight: 112.21

Names & synonyms

1,1-Dimethylcyclohexane590-66-9gem-DimethylcyclohexaneCyclohexane, 1,1-dimethyl-2MEV4299RCNSC-74156DTXSID1074832RefChem:1051793DTXCID2042517209-687-31,1-dimethyl-cyclohexane27195-67-1

Show more names

EINECS 209-687-3NSC 74156UNII-2MEV4299RCAI3-28793Cyclohexane, dimethyl-DIMETHYLCYCLOHEXANE1,1-DIMETHYL CYCLOHEXANEDimethylcyclohexanes

Database identifiers

CAS: 27195-67-1、590-66-9
PubChem CID: 11549
DTXSID: DTXSID1074832
ChEBI: CHEBI:229279
UNII: 2MEV4299RC
EC Number: 209-687-3
Nikkaji: J43.468J

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 64.1

Experimental & physicochemical properties

SolventsSolvents -> Aliphatics, Saturated (<C12)

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure22.7 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -33.3 °C · -33.3 °C
Boiling point: 119.6 °C · 119.6 °C
Density: 0.798 g/cm3 · 0.798 g/cm3(Temp: 15 °C)

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, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Fire Hazards· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health HazardsCAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Cyclohexane.

DOT ID and Guide2263 128

DOT Hazard Classification · 4 items

Dimethylcyclohexanes

UN2263

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety & protection

Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First AidGeneral First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Isolation and EvacuationImmediate precautionary measure

Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.