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21590

Sigma-Aldrich

Hexanoyl chloride

purum, ≥98.0% (GC)

Synonym(s):

Caproyl chloride

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About This Item

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:
329752176
NACRES:
NA.22

grade

purum

Quality Level

100

Assay

≥98.0% (GC)

form

liquid

refractive index

n20/D 1.426 (lit.)
n20/D 1.426

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

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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

Pictograms

FlameCorrosion
GHS02,GHS05

Signal Word

Danger

Hazard Statements

H226,H314

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

21590-100ML:
21590-500ML:
21590-VAR:
21590-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ8361
BCCF9965
BCCD3314
BCCB4497
BCBX4756

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Sanna Virtanen et al.
Carbohydrate polymers, 177, 105-115 (2017-10-01)
Using softwood pulp as the starting material, the synthesis of regioselectively substituted mixed cellulose esters with varying degree of substitution and ratio of short/long chains was successfully completed. The structures of the cellulose esters were characterised. The impact of the
Aamer Saeed
Journal of Asian natural products research, 13(6), 505-511 (2011-05-31)
The synthesis of title isocoumarin, the 5-chloro analog of naturally occurring 7-chloro-8-hydroxy-6-methoxy-3-pentylisocoumarin, isolated from Tessmannia densiflora is described. Chlorination of ethyl 2-(2-ethoxy-2-oxoethyl)-4,6-dimethoxybenzoate (2) afforded 3-chloro ester (3) followed by hydrolysis to furnish the 2-(carboxymethyl)-3-chloro-4,6-dimethoxybenzoic acid (4) that was converted to
Tao Zhang et al.
Molecules (Basel, Switzerland), 18(5), 5201-5208 (2013-05-09)
An asymmetric synthesis of 14-methyl-1-octadecene, the sex pheromone of the peach leafminer moth has been achieved. The target molecule was synthesized in six linear steps and in 30.3% overall yield from commercially available hexanoyl chloride, (S)-4-benzyloxazolidin-2-one and 1,9-nonanediol. The hexanoyl
Aamer Saeed
Natural product research, 27(13), 1153-1158 (2012-08-14)
A short total synthesis of natural isocarbostyril ruprechstyril (3-n-pentyl-6-methoxy-8-hydroxy-1(2H)-isoquinolinone) isolated from Ruprechtia tangarana is reported. 6,8-Dimethoxy-3-pentylisocoumarin obtained by condensation of 3,5-dimethoxyhomophthalic anhydride with hexanoyl chloride was smoothly converted to O-methylruprechstyril by refluxing with methanamide. Regioselective demethylation of the latter using
Aamer Saeed et al.
Journal of Asian natural products research, 15(10), 1112-1122 (2013-07-23)
A new total synthesis of ( ± )-7-butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one, isolated as R-enantiomer from Geotrichum sp., has been described. Reaction of 4-butyl-3,5-dimethoxyhomophthalic anhydride with hexanoyl chloride in the presence of 1,1,3,3-tetramethyl guanidine and triethyl amine afforded 7-butyl-6,8-dimethoxy-3-pentylisochromen-1-one, which was converted into corresponding 3,4-dihydroisochromen-1-one by
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