ChemicalBook--->CAS DataBase List--->36727-29-4

36727-29-4

36727-29-4 Structure

36727-29-4 Structure
IdentificationMore
[Name]

3,5,5-Trimethylhexanoyl chloride
[CAS]

36727-29-4
[Synonyms]

3,5,5-TRIMETHYLHEXANOYL CHLORIDE
INCL
ISONONANOIC ACID CHLORIDE
ISONONANOYL CHLORIDE
3,5,5-trimethyl-hexanoylchlorid
Isononansurechlorid (Isomerengemisch)
LSONONANOYL CHLORIDE
[EINECS(EC#)]

253-168-4
[Molecular Formula]

C9H17ClO
[MDL Number]

MFCD00044028
[Molecular Weight]

176.68
[MOL File]

36727-29-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

188-190 °C (lit.)
[density ]

0.93 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.436(lit.)
[Fp ]

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]

36727-29-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R14:Reacts violently with water.
R20:Harmful by inhalation.
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[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,
Questions And AnswerBack Directory
[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
Hazard InformationBack Directory
[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]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

3,5,5-Trimethylhexanoyl chloride(36727-29-4)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

36727-29-4(sigmaaldrich)
[TCI AMERICA]

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