Hexanoyl chloride

ALDRICH/156957 - 97%

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


45-156957-25ML	25 mL	$43.70 1/EA	Add To Favorites
45-156957-100ML	100 mL	$85.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	150-153 °C (lit.)
density	0.963 g/mL at 25 °C (lit.)
form	liquid
InChI	1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
InChI key	YWGHUJQYGPDNKT-UHFFFAOYSA-N
Quality Level	200
refractive index	n20/D 1.426 (lit.)
SMILES string	CCCCCC(Cl)=O
solubility	chloroform: soluble(lit.)
	diethyl ether: soluble(lit.)

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

Packaging:

25, 100, 500 mL in glass bottle

Symbol	GHS02,GHS05
Signal word	Danger
Hazard statements	H226 - H314
Precautionary statements	P280 - P305 + P351 + P338 - P310
Hazard Codes	C
Risk Statements	10-34
Safety Statements	26-36/37/39-45
RIDADR	UN 2920 3(8) / PGII
WGK Germany	WGK 1
Flash Point(F)	122.0 °F - closed cup
Flash Point(C)	50 °C - closed cup

Purity	97%
bp	150-153 °C (lit.)
Density	0.963 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.426 (lit.)
UNSPSC	12352100

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