Skip to Content
Merck
CN

422959

3,5,5-Trimethylhexanoyl chloride

98%

Synonym(s):

Isononanoyl chloride

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
(CH3)3CCH2CH(CH3)CH2COCl
CAS Number:
36727-29-4
Molecular Weight:
176.68
NACRES:
NA.22
PubChem Substance ID:
24866467
UNSPSC Code:
12352100
EC Number:
253-168-4
MDL number:
MFCD00044028

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

3,5,5-Trimethylhexanoyl chloride, 98%

InChI key

GEKPNPPFAYJZRD-UHFFFAOYSA-N

InChI

1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3

SMILES string

CC(CC(Cl)=O)CC(C)(C)C

assay

98%

form

liquid

refractive index

n20/D 1.436 (lit.)

bp

188-190 °C (lit.)

density

0.93 g/mL at 25 °C (lit.)

Application

3,5,5-Trimethylhexanoyl chloride (isononanoyl chloride) may be used:
  • As a reagent in the synthesis of barbituric acid analogs
  • As a starting material in the synthesis of α-N-fattyacyl colistin nonapeptide derivative.
  • As a reactant in the synthesis of 3,5,5-trimethylhexanamide.

General description

3,5,5-Trimethylhexanoyl chloride (isononanoyl chloride) is an acid chloride. Its has been reported to be synthesized by the chlorination of isononanoic acid with thionyl chloride.

pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Met. Corr. 1 - Skin Corr. 1A - Skin Sens. 1

supp_hazards

EUH014

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 1

flash_point_f

284.0 °F - closed cup

flash_point_c

140 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCM5126
06225BG

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

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

Visit the Document Library

Chemical synthesis, isolation and characterization of a-N-fattyacyl colistin nonapeptide with special reference to the correlation between antimicrobial activity and carbon number of fattyacyl moiety.
Chihara S, et al.
Agricultural and Biological Chemistry, 38(3), 521-529 (1974)
Outer-Sphere Coordination Chemistry: Amido-Ammonium Ligands as Highly Selective Tetrachloridozinc (II) ate Extractants.
Turkington JR, et al.
Inorganic Chemistry, 51(23), 12805-12819 (2012)
Yong-Chul Jeong et al.
Molecules (Basel, Switzerland), 20(3), 3582-3627 (2015-02-25)
The synthesis, tautomerism and antibacterial activity of novel barbiturates is reported. In particular, 3-acyl and 3-carboxamidobarbiturates exhibited antibacterial activity, against susceptible and some resistant Gram-positive strains of particular interest is that these systems possess amenable molecular weight, rotatable bonds and

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