| Identification | More | [Name]
Octanoyl chloride | [CAS]
111-64-8 | [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 | [EINECS(EC#)]
203-891-6 | [Molecular Formula]
C8H15ClO | [MDL Number]
MFCD00000766 | [Molecular Weight]
162.66 | [MOL File]
111-64-8.mol |
| Chemical Properties | Back Directory | [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 | [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 | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R22:Harmful if swallowed. | [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 . | [RIDADR ]
UN 3265 8/PG 2
| [WGK Germany ]
3
| [RTECS ]
RH1570000
| [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29159080 |
| Hazard Information | Back Directory | [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. |
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