1.09686

n-Heptane

reference substance for gas chromatography

• Synonym(s): Heptane
• Linear Formula: CH₃(CH₂)₅CH₃
• CAS Number: 142-82-5
• Molecular Weight: 100.20
• EC Index Number: 205-563-8
• UNSPSC Code: 12352001
• Beilstein/REAXYS Number: 1730763
• MDL number: MFCD00009544

Properties

• vapor density: 3.5 (vs air)
• Quality Segment: 100
• vapor pressure: 40 mmHg ( 20 °C), 83 mmHg ( 37.7 °C)
• assay: ≥99.5% (GC)
• form: liquid
• autoignition temp.: 433 °F
• potency: >5000 mg/kg LD₅₀, oral (Rat), >2000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 7 %
• technique(s): gas chromatography (GC): suitable
• refractive index: n20/D 1.387 (lit.)
• bp: 98 °C (lit.)
• mp: −91 °C (lit.)
• transition temp: flash point -4 °C
• density: 0.684 g/mL at 25 °C (lit.)
• storage temp.: 2-30°C
• SMILES string: CCCCCCC
• InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
• InChI key: IMNFDUFMRHMDMM-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC): ≥ 99.5 %
Identity (IR): conforms

Safety Information

• signalword: Danger
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• pictograms: GHS02,GHS08,GHS07,GHS09
• hcodes: H225,H304,H315,H336,H410
• flash_point_f: 24.8 °F - closed cup
• flash_point_c: -4 °C - closed cup