FEMA No. 3400
3-Hepten-2-one
CAS: 1119-44-4
Molecular Formula: C7H12O
FEMA No. 3400 - Names and Identifiers
| Name | 3-Hepten-2-one |
| Synonyms | AI3-22032 FEMA 3400 FEMA No. 3400 3-HEPTEN-2-ONE 3-Hepten-2-one hept-3-en-2-one Butylideneacetone (E)-hept-3-en-2-one (3E)-hept-3-en-2-one METHYL PENTENYL KETONE Methyl pentenyl ketone Coconut ketone solution 3-Hepten-2-one fandachem |
| CAS | 1119-44-4 |
| EINECS | 214-278-8 |
| InChI | InChI=1/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | JHHZQADGLDKIPM-AATRIKPKSA-N |
FEMA No. 3400 - Physico-chemical Properties
| Molecular Formula | C7H12O |
| Molar Mass | 112.17 |
| Density | 0,86 g/cm3 |
| Boling Point | 63°C 13mm |
| Flash Point | 49°C |
| JECFA Number | 1127 |
| Water Solubility | Soluble in alcohol and slightly soluble in water(3087 mg/L @ 25°C (est.)) |
| Vapor Presure | 2.7mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Light yellow to Light orange |
| BRN | 1739239 |
| Storage Condition | Room Temprature |
| Refractive Index | 1.4450 |
| MDL | MFCD00015564 |
| Physical and Chemical Properties | Colorless oily liquid with strong sharp grass odor. Boiling point of 162 deg C, CIS 34~39 deg C (1466Pa), trans 51~52 deg C (1466Pa). Relative density, CIS (d420)0.8840, trans (d420)0.8496. Refractive index, CIS (nD20)1.4325, trans (nD20)1.4436. A few insoluble in water, soluble in ethanol and oils. Natural products are present in fried hazelnuts, etc. |
FEMA No. 3400 - Risk and Safety
| Risk Codes | R10 - Flammable R11 - Highly Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | 1224 |
| WGK Germany | 3 |
| TSCA | Yes |
| Hazard Class | 3 |
| Packing Group | III |
FEMA No. 3400 - Reference Information
| FEMA | 3400 | 3-HEPTEN-2-ONE |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drinks, cold drinks 1.0; Candy, baked goods, jelly, pudding 2.0; Milk, dairy products 0.7. |
| use | GB 2760-1996 specified as allowed food spices. |
| Production method | The cis is formed by the reaction of 1-pentyne and acetic anhydride to obtain 3-heptyne-2-one, which is then partially catalyzed and hydrogenated. Trans are obtained by treating trans-2-hexenoic acid with methyl lithium. |
Last Update：2024-04-09 15:16:47
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