3,5,5-Trimethylhexanoyl chloride
Synonym(s):Isononanoyl chloride
- CAS NO.：36727-29-4
- Empirical Formula: C9H17ClO
- Molecular Weight: 176.68
- MDL number: MFCD00044028
- EINECS: 253-168-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-01-27 09:38:02
What is 3,5,5-Trimethylhexanoyl chloride?
The Uses of 3,5,5-Trimethylhexanoyl chloride
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
Properties of 3,5,5-Trimethylhexanoyl chloride
| Boiling point: | 188-190 °C (lit.) |
| Density | 0.93 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 284 °F |
| form | clear liquid |
| color | Colorless to Light yellow |
| Specific Gravity | 0.940 |
| CAS DataBase Reference | 36727-29-4(CAS DataBase Reference) |
| EPA Substance Registry System | Hexanoyl chloride, 3,5,5-trimethyl- (36727-29-4) |
Safety information for 3,5,5-Trimethylhexanoyl chloride
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H290:Corrosive to Metals H302:Acute toxicity,oral H314:Skin corrosion/irritation H317:Sensitisation, Skin H330:Acute toxicity,inhalation H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3,5,5-Trimethylhexanoyl chloride
| InChIKey | GEKPNPPFAYJZRD-UHFFFAOYSA-N |
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