O4733

Octanoyl chloride

99%

• Synonym(s): Capryloyl chloride
• Linear Formula: CH₃(CH₂)₆COCl
• CAS Number: 111-64-8
• Molecular Weight: 162.66
• Beilstein: 635917
• EC Number: 203-891-6
• MDL number: MFCD00000766
• UNSPSC Code: 12352100
• PubChem Substance ID: 24898002
• NACRES: NA.22

Properties

• vapor pressure: 2.5 mmHg ( 20 °C)
• Assay: 99%
• refractive index: n20/D 1.435 (lit.)
• bp: 195 °C (lit.)
• density: 0.953 g/mL at 25 °C (lit.)
• SMILES string: CCCCCCCC(Cl)=O
• InChI: 1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3
• InChI key: REEZZSHJLXOIHL-UHFFFAOYSA-N

Description

Application

Applications of octanoyl chloride include:

• Synthesis of (R)-2-propyloctanoic acid, a therapeutic agent for Alzheimer′s disease.
• Synthesis of a variety of N-n-octyl-D-gluconamide based organogels.
• Building 2-heptylbenzo[d]thiazole moiety to synthesize conjugated copolymer with fluorine, as cathode interlayer in inverted polymer solar cells (PSCs).
• Octanoyl chloride is one of the essential precursors in the total synthesis of (−)-mandelalide L, a marine macrolide that display significant cytotoxicity against human cancer cell lines.

Safety Information

• Pictograms: GHS06,GHS05
• Signal Word: Danger
• Hazard Statements: H290,H315,H317,H318,H330
• Precautionary Statements: P234 - P260 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 2 Inhalation - Eye Dam. 1 - Met. Corr. 1 - Skin Irrit. 2 - Skin Sens. 1
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 1
• Flash Point(F): 179.6 °F - closed cup
• Flash Point(C): 82 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves