8.20928

1-Octene

for synthesis

• Synonym(s): 1-Octene, 1-Octylene, Caprylene
• Linear Formula: CH₃(CH₂)₅CH=CH₂
• CAS Number: 111-66-0
• Molecular Weight: 112.21
• UNSPSC Code: 12352002
• EC Index Number: 203-893-7
• NACRES: NA.22
• MDL number: MFCD00009548
• Assay: ≥97.0% (GC)
• Form: liquid

Properties

• vapor pressure: 17.3 hPa ( 20 °C)
• Quality Segment: 200
• assay: ≥97.0% (GC)
• form: liquid
• autoignition temp.: 221 °C
• potency: >5000 mg/kg LD₅₀, oral (Rat), >2000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 0.7-6.8 % (v/v)
• kinematic viscosity: 0.38 cSt(40 °C)
• mp: -102 °C
• transition temp: flash point 8 °C
• density: 0.72 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: C(CCC)CCC=C
• InChI: 1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
• InChI key: KWKAKUADMBZCLK-UHFFFAOYSA-N

Description

Application

• Catalytic Behavior of Chromium: Investigation of chromium catalysts for selective ethylene oligomerization to 1-Octene, crucial for developing advanced materials and chemicals used in various sectors, including pharmaceuticals (KA Alferov et al., 2017).
• Analysis of Ethylene/1-Octene Copolymers: Detailed structure analysis of ethylene/1-Octene copolymers synthesized from living coordination polymerization, providing insights into the polymer structure that are critical for developing new materials (W Liu et al., 2014).
• Phenoxyimine Zr-Catalyzed Polymerizations: Studies on unexpected s-ligand effects in phenoxyimine Zr-catalyzed copolymerizations of ethylene and 1-Octene, relevant for designing catalysts and polymers with specific properties for drug delivery systems (Y Gao et al., 2019).

Analysis Note

Assay (GC, area%): ≥ 97.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.714 - 0.715
Identity (IR): passes test

Safety Information

• pictograms: GHS02,GHS08,GHS09
• signalword: Danger
• hcodes: H225,H304,H410
• pcodes: P210 - P233 - P273 - P280 - P301 + P310 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• flash_point_f: 46.4 °F - closed cup
• flash_point_c: 8 °C - closed cup