Allyl (3-methylbutoxy)acetate
- CAS NO.：67634-00-8
- Empirical Formula: C10H18O3
- Molecular Weight: 186.25
- MDL number: MFCD03424212
- EINECS: 266-803-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-09 21:58:15
What is Allyl (3-methylbutoxy)acetate?
Chemical properties
Allyl (3-Methylbutoxy)acetate is a colorless liquid of strong, fruity galbanum odor with pineapple modification. It can be prepared by reaction of chloroacetic acid with isoamyl alcohol in the presence of sodium hydroxide and a phase-transfer catalyst, then treating the resulting sodium amylglycolate with allyl alcohol. Allyl amylglycolate is used in fragrance compositions, for example, for detergents.
General Description
Clear colorless liquid.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
Allyl (3-methylbutoxy)acetate may react with strong oxidizing acids sufficiently exothermically to ignite the reaction products. Also generates heat with caustic solutions. May generate flammable hydrogen with alkali metals, hydrides, and other reducing agents.
Fire Hazard
Allyl (3-methylbutoxy)acetate is combustible.
Flammability and Explosibility
Not classified
Safety
The reported median lethal concentration (LC50) for allyl (3-methylbutoxy)acetate was 0.43 mg/L (4 hour exposure) in rats. Observed sub-clinical signs in the treated rats were clear nasal discharge, ataxia, tremors, salivation, dyspnoea, hypoactivity, and slight piloerection (REACHb). The NOAEL for allyl (3-methylbutoxy)acetate was 100 mg/kg bw/day (REACHb).
Properties of Allyl (3-methylbutoxy)acetate
| Boiling point: | 206-226 °C(lit.) |
| Density | 0.937 g/mL at 25 °C(lit.) |
| vapor pressure | 19.7Pa at 25℃ |
| refractive index | n |
| Flash point: | 205 °F |
| form | clear liquid |
| color | Colorless to Very pale yellow |
| Odor | at 10.00 % in dipropylene glycol. fruity green galbanum pineapple fusel |
| Water Solubility | 1μg/L at 20℃ |
| InChI | InChI=1S/C10H18O3/c1-4-6-13-10(11)8-12-7-5-9(2)3/h4,9H,1,5-8H2,2-3H3 |
| CAS DataBase Reference | 67634-00-8(CAS DataBase Reference) |
| EPA Substance Registry System | Acetic acid, 2-(3-methylbutoxy)-, 2-propen-1-yl ester (67634-00-8) |
Safety information for Allyl (3-methylbutoxy)acetate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for Allyl (3-methylbutoxy)acetate
| InChIKey | XCWPXUNHSPOFGV-UHFFFAOYSA-N |
| SMILES | C(OCC=C)(=O)COCCC(C)C |
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