- Isononanoyl chloride
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2025-06-20
- CAS:36727-29-4
- Min. Order: 1kg
- Purity: 99.00%
- Supply Ability: 20tons
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| | 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.) | | Fp | 284 °F | | form | clear liquid | | Specific Gravity | 0.940 | | color | Colorless to Light yellow | | 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) |
| 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 | | TSCA | TSCA listed | | HS Code | 2915.90.5010 | | 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, |
| | 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 |
- https://www.sigmaaldrich.com/catalog/product/aldrich/422959?lang=en®ion=US
- 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 | | 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 introduced into the reaction mixture to replace the unreacted phosgene, carbon dioxide and hydrogen chloride as by-products, and then 3,5,5-trimethylhexanoyl chloride was obtained as a colorless liquid by distillation under reduced pressure. |
| | 3,5,5-Trimethylhexanoyl chloride Preparation Products And Raw materials |
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