ChemicalBook Product Catalog Chemical Reagents Organic reagents Halogenated aliphatic hydrocarbons Octanoyl chloride

Octanoyl chloride

Product NameOctanoyl chloride
CAS111-64-8
MFC8H15ClO
MW162.66
EINECS203-891-6
MOL File111-64-8.mol

Chemical Properties

Melting point	-63 °C
Boiling point	195 °C (lit.)
Density	0.953 g/mL at 25 °C (lit.)
vapor pressure	2.5 mm Hg ( 20 °C)
refractive index	n20/D 1.435(lit.)
Flash point	177 °F
storage temp.	−20°C
solubility	soluble in Chloroform, Methanol
form	Liquid
color	Clear
Odor	pungent odor
Water Solubility	REACTS
Sensitive	Moisture Sensitive
BRN	635917
Stability	Moisture sensitive
InChI	1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3
InChIKey	REEZZSHJLXOIHL-UHFFFAOYSA-N
SMILES	CCCCCCCC(Cl)=O
CAS DataBase Reference	111-64-8(CAS DataBase Reference)
NIST Chemistry Reference	Octanoyl chloride(111-64-8)
EPA Substance Registry System	Octanoyl chloride (111-64-8)

Safety Information

Hazard Codes	C,T
Risk Statements	34-22-43-41-38-23
Safety Statements	26-36/37/39-45-25-39-37-24
RIDADR	UN 3265 8/PG 2
WGK Germany	3
RTECS	RH1570000
TSCA	TSCA listed
HazardClass	8
PackingGroup	II
HS Code	29159080
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 2 Inhalation Eye Dam. 1 Met. Corr. 1 Skin Irrit. 2 Skin Sens. 1

MSDS

Provider	Language
Capryloyl chloride	English
SigmaAldrich	English
ACROS	English
ALFA	English

Usage And Synthesis

Chemical Properties

clear liquid

Uses

Octanoyl chloride is used to produce adhesives. It is used as an acylating agent for a variety of compounds such as sugars (e.g. Sucrose, aromatic compounds (e.g. Anisole and monoglycerides.

Uses

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.

Preparation

Diphosgene (108.8 g) was added to a mixture of octanoic acid (144.2 g) and DMF (1.5 L) at 70 C°. The mixture was left to stand for 1 h, and then nitrogen was bubbled through it for 30 min at 100 C° to give 96.9% of octanoyl chloride (purity 99.99%). Benzoyl chloride and terephthaloyl chloride were similarly prepared.

General Description

Clear colorless to straw-colored liquid with a pungent odor.

Air & Water Reactions

Reacts vigorously with water to form HCl and caprylic acid. Insoluble in water.

Reactivity Profile

Octanoyl chloride is incompatible with bases (including amines), water, alcohols, and with oxidizing agents . May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].

Fire Hazard

Octanoyl chloride is combustible.

Preparation Products And Raw materials

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