METHYL HEXOATE
methyl caproate
CAS: 106-70-7
Molecular Formula: C7H14O2
METHYL HEXOATE - Names and Identifiers
| Name | methyl caproate |
| Synonyms | FEMA 2708 METHYL HEXOATE METHYL CAPROATE methyl caproate methyl hexylate METHYL HEXANOATE methyl hexanoate methyl capronate METHYL N-CAPROATE METHYL N-HEXANOATE methyl n-hexanoate caproic acid methyl ester HEXANOIC ACID METHYL ESTER |
| CAS | 106-70-7 |
| EINECS | 203-425-1 |
| InChI | InChI=1/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3 |
METHYL HEXOATE - Physico-chemical Properties
| Molecular Formula | C7H14O2 |
| Molar Mass | 130.18 |
| Density | 0.885 g/mL at 25 °C (lit.) |
| Melting Point | -71 °C (lit.) |
| Boling Point | 151 °C (lit.) |
| Flash Point | 113°F |
| JECFA Number | 1871 |
| Water Solubility | 1.325g/L(20 ºC) |
| Solubility | chloroform: soluble100mg/mL, clear |
| Vapor Presure | 3.7 hPa (20 °C) |
| Appearance | Liquid |
| Color | Colorless |
| BRN | 1744683 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases. |
| Refractive Index | n20/D 1.405 |
| Physical and Chemical Properties | Colorless liquid. Pineapple-like aroma. Melting Point -71 °c, boiling point 151.2 °c, refractive index (nD20)1.4054, relative density (d2525)0.8850. Soluble in ethanol and ether, insoluble in water. Natural products are present in pineapple and the like. |
| Use | Used as a fragrance and in organic synthesis |
METHYL HEXOATE - Risk and Safety
| Risk Codes | 10 - Flammable |
| Safety Description | S43 - In case of fire use ... (there follows the type of fire-fighting equipment to be used.) S16 - Keep away from sources of ignition. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S7 - Keep container tightly closed. |
| UN IDs | UN 3272 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MO8401400 |
| TSCA | Yes |
| HS Code | 29159080 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg |
METHYL HEXOATE - Reference Information
| FEMA | 2708 | METHYL HEXANOATE |
| LogP | 2.34 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Soft drink 4.1; Cold drink 8.5; Candy 5.3; Baked goods 20. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-1996 specifies the permitted use of flavorants. Mainly used in the preparation of pineapple and apricot flavor. used as perfume and in organic synthesis used in organic synthesis, food industry, also used as gas chromatography reference and solvent gas chromatography analysis standard. Organic Synthesis. Detergents, emulsifiers, wetting agents and other intermediates. |
| production method | the esterification of methanol and caproic acid in the presence of concentrated sulfuric acid at 130~140 °c. Derived from the alcoholysis of coconut oil. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: 5000 mg/kg; Inhalation-mouse LD50: 14g/m3/2 h |
| flammability hazard characteristics | flammable in case of open flame, high temperature and oxidant; combustion-induced smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
Last Update：2024-04-09 02:00:04
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