3,5,5-Trimethylhexanoyl Chloride , >90.0%(GC) , 36727-29-4

Synonym(s):
Isononanoyl chloride

CAS NO.：36727-29-4

Empirical Formula: C9H17ClO

Molecular Weight: 176.68

MDL number: MFCD00044028

EINECS: 253-168-4

PRODUCT 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
• InChI: InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
• InChIKey: GEKPNPPFAYJZRD-UHFFFAOYSA-N
• SMILES: C(Cl)(=O)CC(C)CC(C)(C)C
• CAS DataBase Reference: 36727-29-4(CAS DataBase Reference)
• EPA Substance Registry System: Hexanoyl chloride, 3,5,5-trimethyl- (36727-29-4)

Description and 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.

Safety

• Symbol(GHS): GHS05,GHS06
• Signal word: Danger
• Hazard statements: H290-H302-H314-H317-H330-H412
• Precautionary statements: P273-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
• 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,
• Excepted Quantities: Not Permitted as Excepted Quantity