3-Methylpentane

3-Methylpentane
	Skeletal formula of 3-methylpentane
Ball and stick model of 3-methylpentane	Spacefill model of 3-methylpentane
Names
	Preferred IUPAC name 3-Methylpentane
Identifiers
CAS Number	96-14-0 ;
3D model (JSmol)	Interactive image ;
Beilstein Reference	1730734
ChEBI	CHEBI:88373 ;
ChEMBL	ChEMBL357767 ;
ChemSpider	7010 ;
ECHA InfoCard	100.002.257
EC Number	202-481-4;
MeSH	3-methylpentane
PubChem CID	7282 ;
RTECS number	SA2995500;
UNII	XD8O3ML76T ;
UN number	1208
CompTox Dashboard (EPA)	DTXSID8052647 ;
	InChI InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 Key: PFEOZHBOMNWTJB-UHFFFAOYSA-N ;
	SMILES CCC(C)CC;
Properties
Chemical formula	C6H14
Molar mass	86.178 g·mol−1
Appearance	Colorless liquid
Odor	Odorless
Density	664 mg mL−1
Melting point	−162.8 °C; −261.1 °F; 110.3 K
Boiling point	62.9 to 63.7 °C; 145.1 to 146.6 °F; 336.0 to 336.8 K
Solubility in water	Insoluble
log P	3.608
Vapor pressure	18.0 kPa (at 17 °C)
Henry's law; constant (kH)	8.8 mol Pa−1 kg−1
Magnetic susceptibility (χ)	−75.52·10−6 cm3/mol
Refractive index (nD)	1.376
Thermochemistry
Heat capacity (C)	191.16 J K−1 mol−1
Std molar; entropy (S⦵298)	292.5 J K−1 mol−1
Std enthalpy of; formation (ΔfH⦵298)	−203.0 – −201.0 kJ mol−1
Std enthalpy of; combustion (ΔcH⦵298)	−4.1608 – −4.1590 MJ mol−1
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H304, H315, H336, H411
Precautionary statements	P210, P261, P273, P301+P310, P331
Flash point	−7 °C (19 °F; 266 K)
Autoignition; temperature	278 °C (532 °F; 551 K)
Explosive limits	1.2–7.7%
	NIOSH (US health exposure limits):
PEL (Permissible)	none
Related compounds
Related alkanes	Isopentane ; 2-Methylpentane ; 3-Ethylpentane ; 2-Methylhexane ; 3-Methylhexane ;
Related compounds	2-Ethyl-1-butanol ; Valnoctamide ;
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Last updated October 15, 2025

3-Methylpentane is a branched alkane with the molecular formula C₆H₁₄. It is a structural isomer of hexane composed of a methyl group bonded to the third carbon atom in a pentane chain. It is of similar structure to the isomeric 2-methylpentane, which has the methyl group located on the second carbon of the pentane chain.

As of early 1990s, it was present in American^[3] and European^[4] gasoline in small amounts, and by 2011 its share in US gas varied between 1.5 and 6%^[5] It has close research and motor octane numbers of 74.5 and 74.3.^[6]

References

↑ "3-methylpentane - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 5 March 2012.
↑ NIOSH Pocket Guide to Chemical Hazards. "#0323". National Institute for Occupational Safety and Health (NIOSH).
↑ Doskey, Paul V.; Porter, Joseph A.; Scheff, Peter A. (November 1992). "Source Fingerprints for Volatile Non-Methane Hydrocarbons". Journal of the Air & Waste Management Association. 42 (11): 1437–1445. Bibcode:1992JAWMA..42.1437D. doi:10.1080/10473289.1992.10467090. ISSN 1047-3289.
↑ Östermark, Ulf; Petersson, Göran (1992-09-01). "Assessment of hydrocarbons in vapours of conventional and alkylate-based petrol" (PDF). Chemosphere. 25 (6): 763–768. Bibcode:1992Chmsp..25..763O. doi:10.1016/0045-6535(92)90066-Z. ISSN 0045-6535.
↑ "Hydrocarbon Composition of Gasoline Vapor Emissions from Enclosed Fuel Tanks". nepis.epa.gov. United States Environmental Protection Agency. 2011.
↑ Abdul Jameel, Abdul Gani; Van Oudenhoven, Vincent; Emwas, Abdul-Hamid; Sarathy, S. Mani (2018-05-17). "Predicting Octane Number Using Nuclear Magnetic Resonance Spectroscopy and Artificial Neural Networks" . Energy & Fuels. 32 (5): 6309–6329. Bibcode:2018EnFue..32.6309A. doi:10.1021/acs.energyfuels.8b00556. ISSN 0887-0624.

External links

Material Safety Data Sheet for 3-Methylpentane

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[1] "3-methylpentane - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 5 March 2012.

[2] NIOSH Pocket Guide to Chemical Hazards. "#0323". National Institute for Occupational Safety and Health (NIOSH).

[3] Doskey, Paul V.; Porter, Joseph A.; Scheff, Peter A. (November 1992). "Source Fingerprints for Volatile Non-Methane Hydrocarbons". Journal of the Air & Waste Management Association. 42 (11): 1437–1445. Bibcode:1992JAWMA..42.1437D. doi:10.1080/10473289.1992.10467090. ISSN 1047-3289.

[4] Östermark, Ulf; Petersson, Göran (1992-09-01). "Assessment of hydrocarbons in vapours of conventional and alkylate-based petrol" (PDF). Chemosphere. 25 (6): 763–768. Bibcode:1992Chmsp..25..763O. doi:10.1016/0045-6535(92)90066-Z. ISSN 0045-6535.

[5] "Hydrocarbon Composition of Gasoline Vapor Emissions from Enclosed Fuel Tanks". nepis.epa.gov. United States Environmental Protection Agency. 2011.

[6] Abdul Jameel, Abdul Gani; Van Oudenhoven, Vincent; Emwas, Abdul-Hamid; Sarathy, S. Mani (2018-05-17). "Predicting Octane Number Using Nuclear Magnetic Resonance Spectroscopy and Artificial Neural Networks" . Energy & Fuels. 32 (5): 6309–6329. Bibcode:2018EnFue..32.6309A. doi:10.1021/acs.energyfuels.8b00556. ISSN 0887-0624.

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