156957

Hexanoyl chloride

97%

• Synonym(s): Caproyl chloride
• Linear Formula: CH₃(CH₂)₄COCl
• CAS Number: 142-61-0
• Molecular Weight: 134.60
• Beilstein: 506332
• EC Number: 205-549-1
• MDL number: MFCD00000760
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849650
• NACRES: NA.22

Properties

• Assay: 97%
• form: liquid
• refractive index: n20/D 1.426 (lit.)
• bp: 150-153 °C (lit.)
• solubility: chloroform: soluble(lit.); diethyl ether: soluble(lit.)
• density: 0.963 g/mL at 25 °C (lit.)
• SMILES string: CCCCCC(Cl)=O
• InChI: 1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
• InChI key: YWGHUJQYGPDNKT-UHFFFAOYSA-N

Description

Application

Hexanoyl chloride was used in:

• total synthesis of (±)-7-butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one
• asymmetric synthesis of 14-methyl-1-octadecene, the sex pheromone of the peach leafminer moth
• preparation of hexanoyl-coated nanofibers dispersible in several organic solvents
• total synthesis of natural isocarbostyril ruprechstyril (3-n-pentyl-6-methoxy-8-hydroxy-1(2H)-isoquinolinone), isolated from Ruprechtia tangarana
• synthesis of 5-chloro-8-hydroxy-6-methoxy-3-pentylisocoumarin, the 5-chloro analog of naturally occurring 7-chloro-8-hydroxy-6-methoxy-3-pentylisocoumarin, isolated from Tessmannia densiflora

Safety Information

• Pictograms: GHS02,GHS05
• Signal Word: Danger
• Hazard Statements: H226,H314
• Precautionary Statements: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 122.0 °F - closed cup
• Flash Point(C): 50 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves