Methyl caprylate
Methyl caprylate
CAS: 111-11-5
Molecular Formula: C9H18O2
Methyl caprylate - Names and Identifiers
| Name | Methyl caprylate |
| Synonyms | Methyl caprylate Methyl Octanoate Methyl n-octanoate Methyl n-Octanoate methylesteroctanoicacid Caprylic Acid Methyl Ester Methyl ester of octanoic acid METHYL OCTANOATE FOR SYNTHESIS METHYL OCTANOATE REFERENCE SUBSTANCE FOR Methyl n-Octanoate [Standard Material for GC] |
| CAS | 111-11-5 |
| EINECS | 203-835-0 |
| InChI | InChI=1/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 |
Methyl caprylate - Physico-chemical Properties
| Molecular Formula | C9H18O2 |
| Molar Mass | 158.24 |
| Density | 0.878 |
| Melting Point | -40°C |
| Boling Point | 79 °C |
| Flash Point | 163°F |
| JECFA Number | 173 |
| Water Solubility | Insoluble in water. |
| Solubility | Insoluble in water, soluble in ethanol and ether. |
| Vapor Presure | 1.33 hPa (34.2 °C) |
| Appearance | Colorless liquid |
| Color | Clear colorless |
| BRN | 1752270 |
| Storage Condition | Store below +30°C. |
| Sensitive | Keep away from kindling and heat source. Protect from direct sunlight |
| Refractive Index | n20/D 1.418 |
| MDL | MFCD00009551 |
| Physical and Chemical Properties | Colorless to pale yellow oily liquid. Wine and orange aroma. Boiling point 194~195 ℃, melting point -37.3 ℃, insoluble in water, soluble in ethanol and ether. Natural products are found in Iris coagulum and in essential oils such as strawberries, pineapple, and plum. |
| Use | For Organic synthesis |
Methyl caprylate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 38 - Irritating to the skin |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | RH0778000 |
| TSCA | Yes |
| HS Code | 29159080 |
| Toxicity | LD50 orally in Rabbit: > 2000 mg/kg |
Methyl caprylate - Reference Information
| FEMA | 2728 | METHYL OCTANOATE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Preparation method | 1: It is obtained by alcoholysis of coconut oil fatty acid in the presence of hydrochloric acid gas. 2: It is obtained by esterification of caprylic acid and methanol. Colorless oily liquid. |
| present | naturally exists in iris coagulum and essential oils such as strawberries, pineapples and plums. |
| use | GB 2760-1996 specified as allowed edible spices. Mainly used to prepare pineapple, berry and fruit flavors. for organic synthesis |
| Production method | is obtained by alcoholysis of coconut oil fatty acids in the presence of hydrochloric acid gas. It is obtained by esterification of caprylic acid and methanol. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:11:58
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