| Identification | More | [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 Properties | Back 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 | [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]
36727-29-4(EPA Substance) |
| Safety Data | Back 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
| [TSCA ]
TSCA listed | [HS Code ]
2915.90.5010 | [REACH Registrations]
Active | [HazardClass ]
8 | [PackingGroup ]
III | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 1 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Met. Corr. 1
Skin Corr. 1A
Skin Sens. 1 | [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 Answer | Back 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]
- https://www.sigmaaldrich.com/catalog/product/aldrich/422959?lang=en®ion=US
- http://www.matweb.com/search/DataSheet.aspx?MatGUID=b05d4559acc04ebeaa22c1c5850e479a&ckck=1
|
| Hazard Information | Back 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 | [Synthesis]
Isononanoic acid (300 g, 1 eq.) was added to a 500 mL reaction vial, and phosgene (1-5 eq.) was introduced at a constant rate at a certain temperature, and the reaction was monitored by gas chromatography. At the end of the reaction, dry nitrogen was intr |
|
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J & K SCIENTIFIC LTD.
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Energy Chemical
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China Langchem Inc.
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Maya High Purity Chemicals
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