Basic information
- CAS
584-94-1- Standard SMILES
CCCC(C)C(C)C- InChIKey
JXPOLSKBTUYKJB-UHFFFAOYSA-N- Molecular formula
- C8H18
- Average molar mass
- 114.23 g/mol
- Monoisotopic mass
- 114.14085057
Overview
2,3-dimethylhexane is an alkane.
Names & identifiers
- Preferred name
- 2,3-Dimethylhexane
- IUPAC
- 2,3-dimethylhexane
- English name
- 2,3-DIMETHYLHEXANE
- Molecular formula
- C8H18
- Molecular weight
- 114.23
Names & synonyms
2,3-DIMETHYLHEXANEHexane, 2,3-dimethyl-EINECS 209-547-1NSC 741702,3dimethylhexaneHexane, 2,3dimethylRefChem:442532Hexane, 2,3-dimethyl-(8CI)Hexane, 2,3-dimethyl-(8CI)(9CI)209-547-1584-94-1xi-2,3-Dimethylhexane
Show more names
dimethylhexane94%2,3-DimethyIhexane2,3-Dimethylhexane >2 3-DIMETHYLHEXANE 97%2,3-DIMETHYLHEXANE 94+%Copper(II) hydroxide&ge
(+/-)-2,3-DimethylhexaneMFCD000399512,3-DIMETHYL HEXANENSC741702,3-dimethyl-hexaneSCHEMBL55622SCHEMBL56390SCHEMBL82073
Database identifiers
- CAS
584-94-1- PubChem CID
- 11447
- DTXSID
DTXSID40862240- ChEBI
CHEBI:173398- EC Number
- 209-547-1
- Nikkaji
- J43.423J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 46
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure23.4 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -91.46 °C · -91.46°C (estimate)
- Boiling point
- 115 °C · 115 °C
- Density
- 0.71 · 0.71
- refractive index
- 1.4 · 1.4000-1.4020
- Flash point
- 7 °C · 7 °C
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Soluble)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 2.4 · 2.4×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225: 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)
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)
Hazard information
Regulatory Information2,3-Dimethylhexane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Inhalation may cause drowsiness and dizziness; An aspiration hazard by ingestion (may cause lung damage); [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
Toxicology
TreatmentTreatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
Health EffectsPetroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
Chemistry & industry
Pharmacology
Metabolism/MetabolitesVolatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)
Cellular LocationsMembrane
Uses & manufacturing
UsesOctanes may be found in gasoline. (L1296)
Applications
Uses2,3-Dimethylhexane is one of the pollutants from emission of medium duty diesel trucks.
Additional notes
DefinitionChEBI: Xi-2,3-Dimethylhexane is an alkane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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