2,3-Dimethylpentane
Basic information
- CAS
565-59-3- Standard SMILES
CCC(C)C(C)C- InChIKey
WGECXQBGLLYSFP-UHFFFAOYSA-N- Molecular formula
- C7H16
- Average molar mass
- 100.2 g/mol
- Monoisotopic mass
- 100.12520051
Overview
2,3-Dimethylpentane is a hydrocarbon and one of the isomers of heptane. Heptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
Names & identifiers
- Preferred name
- 2,3-Dimethylpentane
- IUPAC
- 2,3-dimethylpentane
- English name
- 2,3-Dimethylpentane
- Molecular formula
- C7H16
- Molecular weight
- 100.2
Names & synonyms
2,3-DIMETHYLPENTANE565-59-3Pentane, 2,3-dimethyl-3,4-Dimethylpentane8HPD5L8920NSC-23696DTXSID20862203CHEBI:151115RefChem:81863DTXCID90811001209-280-0MFCD00009337
Show more names
2,3-dimethyl-pentaneEINECS 209-280-0NSC 23696BRN 1718734NSC23696SCHEMBL37523SCHEMBL38394SCHEMBL38395
Database identifiers
- CAS
565-59-3- PubChem CID
- 11260
- DTXSID
DTXSID20862203- UNII
- 8HPD5L8920
- EC Number
- 209-280-0
- Nikkaji
- J43.410H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 37.3
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure68.9 [mmHg]
Physical DescriptionColorless liquid with an odor of gasoline; [NJ-HSFS]
Physicochemical properties
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304-H315-H336-H410
- Precautionary statements
- 210 · P210-P273-P301+P310+P331-P302+P352
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 (47.2%): 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 Information
2,3-Dimethylpentane: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
Causes changes in tubules (including acute renal failure and necrosis) in 4-week intermittent oral studies of rats; [RTECS] An irritant; Inhalation may cause headache, dizziness, and loss of consciousness; Overexposure may cause kidney and nervous system effects; [NJ-HSFS] An irritant; An aspiration hazard by ingestion (may cause lung damage); Inhalation may cause CNS depression; [Acros Organics MSDS]
Hazard Classes and Categories
Flam. Liq. 2 (47.2%)
Flammable liquid - category 2
Flammable agents - 3rd degree
Flam. Liq. 2
Safety & protection
Chemistry & industry
Pharmacology
Metabolism/MetabolitesVolatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)
Uses & manufacturing
Uses
Used to make other chemicals, in gasoline, rubber solvents, and other petroleum solvents; [NJ-HSFS]
Heptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
Household ProductsInformation on 4 consumer products that contain 2,3-Dimethylpentane in the following categories is provided:
General Manufacturing InformationPentane, 2,3-dimethyl-: ACTIVE
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Related reactions
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Compound notes
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