1.09687

n-Hexane

reference substance for gas chromatography

• Synonym(s): Hexane, n-Hexane
• Linear Formula: CH₃(CH₂)₄CH₃
• CAS Number: 110-54-3
• Molecular Weight: 86.18
• Beilstein/REAXYS Number: 1730733
• MDL number: MFCD00009520
• UNSPSC Code: 12352001
• EC Index Number: 203-777-6

Properties

• vapor density: ~3 (vs air)
• Quality Level: 100
• vapor pressure: 256 mmHg ( 37.7 °C); 5.2 psi ( 37.7 °C); ~132 mmHg ( 20 °C)
• assay: ≥99.7% (GC)
• form: liquid
• autoignition temp.: 453 °F
• potency: 25000 mg/kg LD₅₀, oral (Rat); >2000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 7.7 %
• technique(s): gas chromatography (GC): suitable
• refractive index: n20/D 1.375 (lit.)
• kinematic viscosity: 0.50 cSt(20 °C)
• bp: 69 °C (lit.)
• mp: −95 °C (lit.)
• transition temp: flash point -22 °C
• solubility: 0.0095 g/L
• density: 0.659 g/mL at 25 °C (lit.)
• storage temp.: 2-30°C
• SMILES string: CCCCCC
• InChI: 1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
• InChI key: VLKZOEOYAKHREP-UHFFFAOYSA-N

Description

Linkage

Replaces: 9687-2

Analysis Note

Assay (GC): ≥ 99.7 %
Identity (IR): conforms

Safety Information

• pictograms: GHS02,GHS07,GHS08,GHS09
• signalword: Danger
• hcodes: H225 - H304 - H315 - H336 - H361f - H373 - H411
• pcodes: P202 - P210 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
• target_organs: Central nervous system, Nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: -7.6 °F
• flash_point_c: -22 °C