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422959

3,5,5-Trimethylhexanoyl chloride

98%

Synonym(s):

Isononanoyl chloride

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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
Assay:
98%
Form:
liquid
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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.)

SMILES string

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

InChI

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

InChI key

GEKPNPPFAYJZRD-UHFFFAOYSA-N

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.

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.

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

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