Compound: HEXANE
SMILES: C(CCC)CC
InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N
Synonyms: HEXANE, n-Hexane, 110-54-3, Skellysolve B, Esani, Gettysolve-B, Hexyl hydride, Dipropyl, Hexanen, Heksan, normal-hexane, NCI-C60571, DTXSID0021917, 2DDG612ED8, CHEBI:29021, NSC-68472, DTXCID001917, NSC68472, RefChem:6658, 1S70G88A39, 203-777-6, Hexanes, 92112-69-1, hexan, Normal hexane, NSC 68472, n-C6H14, n-Hexan, Butane, ethyl-, Esani [Italian], Heksan [Polish], Hexanen [Dutch], HEXANES, MIXTURE OF ISOMERS, FOR SPECTROSCOPY, Hexane, for HPLC, >=95%, MFCD00009520, 1-hexane, 50981-41-4, HSDB 91, CCRIS 6247, Hexane; NSC 68472; Skellysolve B; n-Hexane, EINECS 203-777-6, UN1208, UNII-2DDG612ED8, AI3-24253, HexH, Hexane, for HPLC, Hexane, p.a., n-Hexane, anhydrous, n-Hexane, p.a., n-Hexane HPLC grade, n-Hexane, ACS grade, Hexane Fraction, purum, Hexane, technical grade, n-Hexane, HPLC Grade, SCHEMBL17, HEXANE [USP-RS], N-HEXANE [HSDB], HEXANE [II], Hexane, anhydrous, 95%, N-HEXANE [MI], SCHEMBL399, Epitope ID:116866, Exxsol Hexane (Salt/Mix), EC 203-777-6, Hexane, analytical standard, Hexane, p.a., 95%, N-HEXANE [MART.], Hexanes, mixture of isomers, SCHEMBL2136, SCHEMBL8328, SENOFILCON C [USAN], Hexane, AR, >=99%, SCHEMBL14988, SCHEMBL45152, SCHEMBL45266, SCHEMBL83838, SCHEMBL84475, SCHEMBL95188, WLN: 6H, Hexane, ACS reagent, 99%, CHEMBL15939, n-Hexane, Environmental grade, SCHEMBL144928, SCHEMBL173389, SCHEMBL220283, SCHEMBL231704, SCHEMBL235350, SCHEMBL441784, SCHEMBL443292, SCHEMBL592966, SCHEMBL592967, SCHEMBL594240, SCHEMBL639138, SCHEMBL827400, SCHEMBL973906, SCHEMBL974423, SCHEMBL974630, SCHEMBL975012, SCHEMBL975747, SCHEMBL975948, SCHEMBL976052, SCHEMBL976264, SCHEMBL977247, Hexane, p.a., 95.0%, SCHEMBL1005594, SCHEMBL1005620, SCHEMBL1192962, SCHEMBL2892536, SCHEMBL4152875, SCHEMBL5560201, SCHEMBL6859078, SCHEMBL7689937, SCHEMBL7690477, SCHEMBL7690852, SCHEMBL7691258, SCHEMBL7691346, SCHEMBL7691411, SCHEMBL7692809, SCHEMBL7692820, SCHEMBL7694197, SCHEMBL7694984, SCHEMBL7695052, SCHEMBL7695953, SCHEMBL7696126, SCHEMBL7696166, SCHEMBL7696270, SCHEMBL7698042, SCHEMBL7698125, SCHEMBL7698127, SCHEMBL8775903, Hexane, for HPLC, >=99%, SCHEMBL14765042, SCHEMBL23908703, CH3-[CH2]4-CH3, MSK3501, Hexane, purification grade, 95%, n-Hexane, Spectrophotometric Grade, Hexane, ReagentPlus(R), >=99%, HY-Y1224, Hexane, puriss., >=95% (GC), Tox21_200777, LMFA11000007, MSK3501-100Y, STL445663, Hexane, Laboratory Reagent, >=95%, Hexane, purum, >=98.0% (GC), n-Hexane 100 microg/mL in Methanol, AKOS000269046, Hexane, UV HPLC spectroscopic, 97%, EBC-432042, Hexane, SAJ first grade, >=95.0%, n-Hexane 1000 microg/mL in Methanol, Hexane, JIS special grade, >=96.0%, Hexanes [UN1208]  [Flammable liquid], NCGC00248828-01, NCGC00258331-01, CAS-110-54-3, Hexane, for HPLC, >=97.0% (GC), Hexane, spectrophotometric grade, >=95%, n-Hexane Solution in Ethanol, 100ug/mL, H0394, H0405, H0490, H1197, Hexane, suitable for determination of dioxins, NS00003550, F600017, Q150440, Hexane, Vetec(TM) reagent grade, anhydrous, >=95%, F0001-0002, Hexane, puriss. p.a., ACS reagent, >=99.0% (GC), 680AF2EE-A7B6-479B-BFB3-0F5354069F72, Hexane, >=96.0%, suitable for residual phthalate analysis, InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H, n-Hexane, 95% min. glass distilled HRGC/HPLC trace grade, Hexane, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (GC), Hexane, Pharmaceutical Secondary Standard; Certified Reference Material, Hexane, commercial grade (52% n-hexane, 16% 3-methylpentane, 16% methylcyclopentane), Hexane, puriss., absolute, over molecular sieve (H2O <=0.01%), >=99.0% (GC), HEXANE, COMMERCIAL GRADE (52% n-HEXANE, 16% 3-METHYLCYCLOPENTANE, 16% METHYLCYCLOPENTANE)
Theoretical properties:
molecular_formula: C6H14
molecular_weight: 86.18 g/mol
exact_mass: 86.109550447 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 3
heavy_atom_count: 6
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
odor: Gasoline-like odor
boiling_point: 156 °F at 760 mmHg (NTP, 1992)
melting_point: -139 °F (NTP, 1992)
density: 0.659 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: less than 1 mg/mL at 61.7 °F (NTP, 1992)
flash_point: -9.4 °F (NTP, 1992)
vapor_pressure: 120 mmHg at 68 °F ; 180 mmHg at 77 °F (NTP, 1992)
Descriptions:
pubchem: n-Hexane can cause male reproductive toxicity according to an independent committee of scientific and health experts.
chebi: An unbranched alkane containing six carbon atoms.
chembl: HEXANE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Hexane () or n-hexane is an organic compound, a straight-chain alkane with six carbon atoms and the molecular formula C6H14.
Hexane is a colorless liquid, odorless when pure, and with a boiling point of approximately 69 °C (156 °F). It is widely used as a cheap, relatively safe, largely unreactive, and easily evaporated non-polar solvent, and modern gasoline blends contain about 3% hexane.
The term hexanes refers to a mixture, composed largely (>60%) of n-hexane, with varying amounts of the isomeric compounds 2-methylpentane and 3-methylpentane, and possibly, smaller amounts of nonisomeric C5, C6, and C7 (cyclo)alkanes. These "hexanes" mixtures are cheaper than pure hexane, and are often used in large-scale operations that don't require a single isomer (e.g., as cleaning solvent or for chromatography).