3,5,5-Trimethylhexanoyl chloride Chemical Properties

Boiling point:

188-190 °C (lit.)

Density 

0.93 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.436(lit.)

Flash point:

284 °F

form 

clear liquid

color 

Colorless to Light yellow

Specific Gravity

0.940

InChIKey

GEKPNPPFAYJZRD-UHFFFAOYSA-N

CAS DataBase Reference

36727-29-4(CAS DataBase Reference)

EPA Substance Registry System

Hexanoyl chloride, 3,5,5-trimethyl- (36727-29-4)

Safety Information

Hazard Codes 

C,T+

Risk Statements 

14-20-34-52/53-43-35-26-22

Safety Statements 

26-27-36/37/39-45-61

RIDADR 

3389

WGK Germany 

1

RTECS 

MP4560000

HS Code 

2915.90.5010

HazardClass 

8

PackingGroup 

III

Toxicity

rat,LC50,inhalation,240ppm/4H (240ppm),SKIN AND APPENDAGES (SKIN): HAIR: OTHERGASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDSBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),National Technical Information Service. Vol. OTS0539748,

MSDS

• Language:English Provider:SigmaAldrich

3,5,5-Trimethylhexanoyl chloride Usage And Synthesis

Description

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 alpha-N-fatty acyl colistin nonapeptide derivative, and as a reactant in the synthesis of 3,5,5-trimethylhexanamide¹. It is also an intermediate used in the manufacturing of organic peroxides, pharmaceuticals, crop protection agents, pesticides and dyes².

Sources

1. https://www.sigmaaldrich.com/catalog/product/aldrich/422959?lang=en&region=US
2. http://www.matweb.com/search/DataSheet.aspx?MatGUID=b05d4559acc04ebeaa22c1c5850e479a&ckck=1

Uses

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.

Flammability and Explosibility

Not classified

3,5,5-Trimethylhexanoyl chloride(36727-29-4)Related Product Information

• Propionyl chloride
• Sulfuryl chloride
• Isobutyryl chloride
• p-Toluoyl chloride
• NONANOYL CHLORIDE
• Chloroacetyl chloride
• Benzenesulfonyl chloride
• Hexanoyl chloride
• 3-Methylbenzoyl chloride
• Benzoyl chloride
• Sodium chloride
• Methacryloyl chloride
• Mepiquat chloride
• Calcium chloride
• Benzyl chloride
• Tosyl chloride
• Choline chloride
• Ammonium chloride