Methyl isohexenyl ketone
6-Methyl-5-hepten-2-one
CAS: 110-93-0
Molecular Formula: C8H14O
Methyl isohexenyl ketone - Names and Identifiers
| Name | 6-Methyl-5-hepten-2-one |
| Synonyms | 6-methylhept-5-en-one 6-methyI-5-hepten-2-one 6-Methyl-5-hepten-2-one 2-methylhept-2-en-6-one 6-Methyl-5-henten-2-one 5-Hepten-2-one,6-methyl- Methyl isohexenyl ketone 2-Methyl-6-oxo-2-heptene 2-Oxo-6-methylhept-5-ene METHYL HEPTENONE, NATURAL |
| CAS | 110-93-0 |
| EINECS | 203-816-7 |
| InChI | InChI=1/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3 |
Methyl isohexenyl ketone - Physico-chemical Properties
| Molecular Formula | C8H14O |
| Molar Mass | 126.2 |
| Density | 0.855g/mLat 25°C(lit.) |
| Melting Point | -67.1 °C |
| Boling Point | 73°C18mm Hg(lit.) |
| Flash Point | 123°F |
| JECFA Number | 1120 |
| Water Solubility | insoluble |
| Solubility | Soluble in methanol and chloroform. |
| Vapor Presure | 1.121hPa at 20℃ |
| Appearance | neat |
| Specific Gravity | 0.855 |
| Color | Colorless to Light yellow |
| BRN | 1741705 |
| PH | 6.6 (3g/l, H2O, 25℃) |
| Storage Condition | Sealed in dry,2-8°C |
| Explosive Limit | 1.1-7.3%(V) |
| Refractive Index | n20/D 1.439(lit.) |
| Physical and Chemical Properties | Colorless liquid. Melting point is -67.1 ℃, boiling point is 172-174 ℃,73 ℃(2.4kPa),58.5 ℃(1.33kPa), relative density is 0.860(20/4 ℃), refractive index is 1.4445, flash point 50 °c. With alcohol, ether miscible, insoluble in water. |
| Use | Is an important pharmaceutical Intermediate |
Methyl isohexenyl ketone - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S16 - Keep away from sources of ignition. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 1224 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MJ9700000 |
| TSCA | Yes |
| HS Code | 29141990 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | The acute oral LD50 in rats was reported as 3.5 g/kg (B?r & Griepentrog, 1967) and as 4T g/kg (3.33-5.04 g/kg) (Keating, 1972). The acute dermal LD50 exceeded 5 g/kg (Keating, 1972). |
Methyl isohexenyl ketone - Reference Information
| FEMA | 2707 | 6-METHYL-5-HEPTEN-2-ONE |
| LogP | 2.07 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| biological activity | Sulcatone is an endogenous metabolite. |
| Use | This product has fruit aroma and fresh fragrance, GB 2760-86 is the allowable use of edible spices, mainly used in the preparation of banana, pear, citrus and berry flavor. However, it is rarely used as a raw material for the synthesis of spices. For example for the synthesis of pseudoionone and citral. Also used in other organic synthesis. is an important pharmaceutical intermediate |
| production method | methylheptanone is widely present in various essential oils. Industrial synthesis there are a variety of methods, such as isobutylene, formaldehyde and acetone at 250 °c, 30MPa reaction conditions can be obtained. |
Last Update：2024-04-09 15:16:45
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