A5431712
Methyl hexanoate , Analysis of standard products, ≥99.7%(GC) , 106-70-7
Synonym(s):
Caproic acid methyl ester;Hexanoic acid methyl ester;Methyl caproate;Methyl caproate, Caproic acid methyl ester, Hexanoic acid methyl ester;Methyl hexanoate
CAS NO.：106-70-7
Empirical Formula: C7H14O2
Molecular Weight: 130.18
MDL number: MFCD00009510
EINECS: 203-425-1
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -71 °C (lit.) |
| Boiling point: | 151 °C (lit.) |
| Density | 0.885 g/mL at 25 °C (lit.) |
| vapor pressure | 3.7 hPa (20 °C) |
| refractive index | n |
| FEMA | 2708 | METHYL HEXANOATE |
| Flash point: | 113 °F |
| storage temp. | Store below +30°C. |
| solubility | chloroform: soluble100mg/mL, clear |
| form | Liquid |
| color | Colorless |
| Odor | at 100.00 %. ethereal fruity pineapple apricot strawberry tropical fruit banana bacon |
| Odor Type | fruity |
| biological source | synthetic |
| Water Solubility | 1.325g/L(20 ºC) |
| Thermal Conductivity | 0.138 W/(m·K) at 25 ℃ |
| JECFA Number | 1871 |
| BRN | 1744683 |
| Henry's Law Constant | 2.6×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004) |
| Dielectric constant | 4.7000000000000002 |
| Stability: | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases. |
| Cosmetics Ingredients Functions | PERFUMING SKIN CONDITIONING SKIN CONDITIONING - EMOLLIENT |
| InChI | 1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3 |
| InChIKey | NUKZAGXMHTUAFE-UHFFFAOYSA-N |
| SMILES | CCCCCC(=O)OC |
| LogP | 2.34 |
| CAS DataBase Reference | 106-70-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Hexanoic acid, methyl ester(106-70-7) |
| EPA Substance Registry System | Methyl hexanoate (106-70-7) |
Description and Uses
Methyl hexanoate is the methyl ester form of hexanoate with fruity type odor and flavor. It is formed by the esterification between methanol and hexanoate. It can be found in many sources such as wine grapes, melon, raspberry, blackberry, plum, quince, apple brandy, wines, Bourbon vanilla, coffee, black tea, potato, tomato, cheeses, rye bread, meats and other foodstuffs. Its major application is used as cosmetic, flavor and fragrance agents.
Intermediate for caproic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants, plasticizers, flavoring.
Safety
| Symbol(GHS) |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Precautionary statements | P210 |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Risk Statements | 10 |
| Safety Statements | 43-16-36/37/39-7 |
| RIDADR | UN 1233 |
| WGK Germany | 1 |
| RTECS | MO8401400 |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29159080 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Flam. Liq. 3 |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg |
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
