Skip to Content
Merck
All Photos(1)

Key Documents

More Documents

Safety Information

294659

Sigma-Aldrich

Hexanoyl chloride

≥99%

Synonym(s):

Caproyl chloride

Sign Into View Organizational & Contract Pricing
All Photos(1)

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:
24857726
NACRES:
NA.22

Quality Level

200

Assay

≥99%

refractive index

n20/D 1.426 (lit.)

bp

150-153 °C (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

Looking for similar products? Visit Product Comparison Guide

Application

Hexanoyl chloride has been 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
  • 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

294659-25ML:
294659-BULK:
294659-VAR:
294659-100ML:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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
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 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
Pei Huang et al.
ChemSusChem, 5(12), 2319-2322 (2012-11-28)
Got a crush: Native cellulose can be dispersed as nanofibers in organic solvents by ball milling with esterification agents. Milling with hexanoyl chloride/DMF gives hexanoyl-coated nanofibers dispersible in several organic solvents. Milling with succinic anhydride/DMSO results water-dispersible nanofibers. The results
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service