8.21861

1-Octanethiol

for synthesis

• Synonym(s): 1-Octanethiol, n-Octyl mercaptan
• Linear Formula: CH₃(CH₂)₇SH
• CAS Number: 111-88-6
• Molecular Weight: 146.29
• UNSPSC Code: 12352105
• EC Index Number: 203-918-1
• NACRES: NA.22
• MDL number: MFCD00004912
• Assay: ≥98.0% (GC)

Properties

• vapor pressure: 0.3 hPa ( 20 °C)
• Quality Segment: 200
• assay: ≥98.0% (GC)
• autoignition temp.: 240 °C
• potency: 2000-2450 mg/kg LD₅₀, oral (Rat)
• bp: 199 °C/1013 hPa
• mp: -49 °C
• transition temp: flash point 70 °C
• solubility: 0.004 g/L
• density: 0.84 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: SCCCCCCCC
• InChI: 1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
• InChI key: KZCOBXFFBQJQHH-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.841 - 0.845
Identity (IR): passes test

Safety Information

• pictograms: GHS07,GHS09
• signalword: Warning
• hcodes: H317,H335,H410
• pcodes: P261 - P271 - P272 - P273 - P280 - P302 + P352
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk: WGK 3
• flash_point_f: 154.4 °F - closed cup
• flash_point_c: 68 °C - closed cup