8.20624

1-Heptanol

for synthesis

• Synonym(s): 1-Heptanol, Heptyl alcohol
• Linear Formula: CH₃(CH₂)₆OH
• CAS Number: 111-70-6
• Molecular Weight: 116.20
• UNSPSC Code: 12352104
• EC Index Number: 203-897-9
• NACRES: NA.22
• MDL number: MFCD00002986
• Assay: ≥99.0% (GC)
• Form: liquid

Properties

• vapor pressure: 0.5 hPa ( 20 °C)
• Quality Segment: 200
• assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 350 °C
• potency: 500 mg/kg LD₅₀, oral (Rat), 2000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 0.9 % (v/v)
• bp: 176 °C/1013 hPa
• mp: -35 °C
• transition temp: flash point 78 °C
• solubility: 1 g/L
• density: 0.82 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: OCCCCCCC
• InChI: 1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
• InChI key: BBMCTIGTTCKYKF-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.822 - 0.823
Identity (IR): passes test

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H319,H412
• pcodes: P264 - P273 - P280 - P305 + P351 + P338 - P337 + P313 - P501
• Hazard Classifications: Aquatic Chronic 3 - Eye Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk: WGK 1
• flash_point_f: 168.8 °F - closed cup
• flash_point_c: 76 °C - closed cup