ALLYL ISOVALERATE
- Product NameALLYL ISOVALERATE
- CAS2835-39-4
- MFC8H14O2
- MW142.2
- EINECS220-609-7
- MOL File2835-39-4.mol
Chemical Properties
| Boiling point | 155 °C(lit.) |
| Density | 0.88 g/mL at 25 °C(lit.) |
| FEMA | 2045 | ALLYL ISOVALERATE |
| refractive index | n |
| Flash point | 139 °F |
| solubility | Insoluble in water, soluble in alcohol, miscible with perfume and flavor materials. Poorly soluble in Propylene glycol. |
| Odor | Powerful winey-fruity, “fermented”, Applelike odor. |
| Odor Type | fruity |
| biological source | synthetic |
| JECFA Number | 7 |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3 |
| InChIKey | HOMAGVUCNZNWBC-UHFFFAOYSA-N |
| SMILES | CC(C)CC(=O)OCC=C |
| LogP | 2.40 |
| IARC | 3 (Vol. 36, Sup 7, 71) 1999 |
| EPA Substance Registry System | Allyl isovalerate (2835-39-4) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 21/22-36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 1992 3/PG 3 |
| WGK Germany | 3 |
| RTECS | NY1412000 |
| TSCA | TSCA listed |
| HazardClass | 3.2 |
| PackingGroup | III |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Oral Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 2835-39-4(Hazardous Substances Data) |
| Toxicity | mouse,LDLo,oral,500mg/kg (500mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)SKIN AND APPENDAGES (SKIN): HAIR: OTHER,National Toxicology Program Technical Report Series. |
