2-Isopropyl-5-methyl-2-hexenal
- CAS NO.：35158-25-9
- Empirical Formula: C10H18O
- Molecular Weight: 154.25
- MDL number: MFCD00036616
- EINECS: 252-406-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:24:39
What is 2-Isopropyl-5-methyl-2-hexenal?
Description
The derivatives are concrete and absolute. The concrete is prepared in approximately 1.5 to 2.0% yields by solvent extraction (ben zene, petroleum ether) of the freshly cut flowering herb. It is a dark-green, viscous mass. An absolute is obtained in approxi mately 45% yields by distillation of the concrete with diethylene glycol.
Chemical properties
2-Isopropyl-5-methyl-2-hexenal has a fruity, blueberry odor.
Occurrence
Reported found in cocoa
Preparation
By aldol condensation of isovaleraldehyde
Aroma threshold values
Aroma characteristics at 1.0%: woody, musty, nutshell-like, slightly floral and cooling with a honey and cocoa creamy nuance.
Taste threshold values
Taste characteristics at 10 ppm: woody, nutshell, cocoa hulls, thiazole-like creamy nuance and a fresh, fruity peachlike nuance.
General Description
2-Isopropyl-5-methyl-2-hexenal is a volatile aroma constituent of malted barley and roasted coffee beans. It can be formed via Maillard reaction between leucine and 3-methylbutanal.
Properties of 2-Isopropyl-5-methyl-2-hexenal
| Boiling point: | 189 °C(lit.) |
| Density | 0.845 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 3406 | 2-ISOPROPYL-5-METHYL-2-HEXENAL |
| Flash point: | 145 °F |
| form | Liquid |
| color | A colourless oily liquid |
| Odor | at 100.00 %. herbal lavender woody green blueberry tomato |
| Sensitive | Air Sensitive |
| JECFA Number | 1215 |
| BRN | 1752384 |
| CAS DataBase Reference | 35158-25-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Isopropyl-5-methylhex-2-enal(35158-25-9) |
| EPA Substance Registry System | 2-Hexenal, 5-methyl-2-(1-methylethyl)- (35158-25-9) |
Safety information for 2-Isopropyl-5-methyl-2-hexenal
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 2-Isopropyl-5-methyl-2-hexenal
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