Methyl heptanoate
- Product NameMethyl heptanoate
- CAS106-73-0
- CBNumberCB0441045
- MFC8H16O2
- MW144.21
- EINECS203-428-8
- MDL NumberMFCD00009537
- MOL File106-73-0.mol
Chemical Properties
| Melting point: | −56 °C (−69 °F; 217 K) |
| Boiling point: | 171–172 °C (340–342 °F; 444–445 K) |
| Density | 0.880 g/cm3 (20 °C) |
| refractive index | 1.41 |
| FEMA | 2705 | METHYL HEPTANOATE |
| Flash point: | 52 °C (126 °F; 325 K) |
| storage temp. | room temp |
| solubility | Chloroform: soluble; Ethanol: soluble; Ethyl ether: soluble |
| form | liquid |
| color | Colorless |
| Odor | at 100.00 %. sweet fruit green orris waxy floral berry |
| Odor Type | fruity |
| biological source | synthetic |
| Specific Heat Capacity | Cp(liquid): 1.98 J/(g·K), at 25℃ |
| JECFA Number | 167 |
| BRN | 1747147 |
| Henry's Law Constant | 1.8×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004) |
| Dielectric constant | 4.3600000000000003 |
| Major Application | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3 |
| InChIKey | XNCNNDVCAUWAIT-UHFFFAOYSA-N |
| SMILES | CCCCCCC(=O)OC |
| LogP | 2.83 |
| CAS DataBase Reference | 106-73-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Heptanoic acid, methyl ester(106-73-0) |
| EPA Substance Registry System | Methyl heptanoate (106-73-0) |
Safety
| Symbol(GHS) |
 GHS02 |
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| Signal word | Warning | |||||||||
| Hazard statements | H226 | |||||||||
| Precautionary statements | P210-P370+P378 | |||||||||
| PPE | Eyeshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 16-26-36 | |||||||||
| RIDADR | UN 3272 3/PG 3 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | MJ2297500 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2915 90 70 | |||||||||
| HazardClass | 3.2 | |||||||||
| PackingGroup | III | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Flam. Liq. 3 | |||||||||
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg | |||||||||
| NFPA 704: |
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