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Key Documents

O4733

Sigma-Aldrich

Octanoyl chloride

99%

Synonym(s):

Capryloyl chloride

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About This Item

Linear Formula:
CH3(CH2)6COCl
CAS Number:
Molecular Weight:
162.66
Beilstein:
635917
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

2.5 mmHg ( 20 °C)

Quality Level

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

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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.

Pictograms

Skull and crossbonesCorrosion

Signal Word

Danger

Hazard Statements

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

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Certificates of Analysis (COA)

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