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Hexanoyl chloride

SIAL/21590 - purum, ≥98.0% (GC)

Synonym: Caproyl chloride

CAS Number: 142-61-0
Empirical Formula (Hill Notation): C6H11ClO
Molecular Weight: 134.60
EC Number: 205-549-1
MDL Number: MFCD00000760
Linear Formula: CH3(CH2)4COCl
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-21590-100ML 100 mL
 $90.80
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assay ≥98.0% (GC)
bp 150-153 °C (lit.)
density 0.963 g/mL at 25 °C (lit.)
form liquid
functional group acyl chloride
grade purum
InChI 1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
InChI key YWGHUJQYGPDNKT-UHFFFAOYSA-N
Quality Level 100 
refractive index n20/D 1.426
  n20/D 1.426 (lit.)
SMILES string CCCCCC(Cl)=O
solubility chloroform: soluble(lit.)
  diethyl ether: soluble(lit.)
Application: Hexanoyl chloride has been used in the synthesis of:
• (±)-7-butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one
• 14-methyl-1-octadecene, the sex pheromone of the peach leafminer moth
• hexanoyl-coated nanofibers dispersible in several organic solvents
• natural isocarbostyril ruprechstyril (3-n-pentyl-6-methoxy-8-hydroxy-1(2H)-isoquinolinone), isolated from Ruprechtia tangarana
• 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
Purity ≥98.0% (GC)
bp 150-153 °C (lit.)
Density 0.963 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.426 (lit.); n20/D 1.426
UNSPSC 12352100

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