ChemicalBook CAS DataBase List 111-64-8

111-64-8

Name	Octanoyl chloride
CAS	111-64-8
EINECS(EC#)	203-891-6
Molecular Formula	C8H15ClO
MDL Number	MFCD00000766
Molecular Weight	162.66
MOL File	111-64-8.mol

Synonyms

CAPRYLOYL CHLORIDE CAPRYLYL CHLORIDE N-CAPRYLY CHLORIDE N-CAPRYLYL CHLORIDE N-OCTANOYL CHLORIDE OCTANOIC ACID CHLORIDE OCTANOYL CHLORIDE OTCL Caprylic acid chloride caprylicacidchloride n-Caprylchloride n-CapryloylChloride octanoicchloride OCTANOYL CHLORIDE (OTCL) OCLANOYL CHLORIDE Caprylyl chloride: (Octanoyl chloride) OCTANOYL CHLORIDE PURE 1-Octanoic acid chloride Caprylyl chlorid capryloyl(n)chloride

Chemical Properties

Appearance	clear liquid
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.)
Fp	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	111-64-8(EPA Substance)

Safety Data

Symbol(GHS)	GHS05,GHS06
Signal word	Danger
Hazard statements	H290-H315-H317-H318-H330
Precautionary statements	P234-P260-P280-P302+P352-P304+P340+P310-P305+P351+P338
Hazard Codes	C
Risk Statements	R34:Causes burns. R22:Harmful if swallowed. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S25:Avoid contact with eyes . less more
RIDADR	UN 3265 8/PG 2
WGK Germany	3
RTECS	RH1570000
TSCA	Yes
REACH Registrations	Active
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

Raw materials And Preparation Products

Hazard Information

General Description

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

Reactivity Profile

CAPRYLYL CHLORIDE(111-64-8) 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].

Air & Water Reactions

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

Fire Hazard

This chemical is combustible.

Chemical Properties

clear liquid

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.

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.

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.

Material Safety Data Sheet(MSDS)

Spectrum Detail

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