Allyl (3-methylbutoxy)acetate Chemical Properties

Boiling point:

206-226 °C(lit.)

Density 

0.937 g/mL at 25 °C(lit.)

vapor pressure 

19.7Pa at 25℃

refractive index 

n20/D 1.4317(lit.)

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

Odor Type

fruity

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

InChIKey

XCWPXUNHSPOFGV-UHFFFAOYSA-N

SMILES

C(OCC=C)(=O)COCCC(C)C

LogP

1.96 at 25℃

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

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

2

RTECS 

AI8988000

HS Code 

2916.19.3000

MSDS

• Language:English Provider:Allyl isoamyl glycolate
• Language:English Provider:SigmaAldrich

Allyl (3-methylbutoxy)acetate Usage And Synthesis

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).

Allyl (3-methylbutoxy)acetate(67634-00-8)Related Product Information

• ALLYL ACRYLATE
• (2-Propenyl) 3-oxobutanoate
• Diallyl phthalate
• Methacrylamide
• Propyl acetate
• Allyl hexanoate
• Allyl glycidyl ether
• Methacryloyl chloride
• Allyl chloroformate
• Isopropyl acetate
• Allyl cyclohexylpropionate
• Pivalic acid
• 3-Methyl-1-butene
• Ammonium acetate
• N,N'-Methylenebisacrylamide
• Allyl phenoxyacetate
• Allyl cyanoacetate
• Allyl heptanoate