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:
Molecular Weight:
176.68
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
253-168-4
MDL number:
Assay:
98%
Form:
liquid
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.
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
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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