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Allyl (3-methylbutoxy)acetate

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Allyl (3-methylbutoxy)acetate

EINECS 266-803-5
CAS No. 67634-00-8 Density 0.936 g/cm3
PSA 35.53000 LogP 1.77830
Solubility Insoluble in water Melting Point -23ºC
Formula C10H18O3 Boiling Point 239.5 °C at 760 mmHg
Molecular Weight 186.251 Flash Point 81.1 °C
Transport Information N/A Appearance Clear colorless liquid.
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 67634-00-8 (Acetic acid,2-(3-methylbutoxy)-, 2-propen-1-yl ester) Hazard Symbols IrritantXi
Synonyms

Aceticacid, (3-methylbutoxy)-, 2-propenyl ester (9CI);Allyl isoamyl glycolate;

Article Data 3

Allyl (3-methylbutoxy)acetate Specification

The Allyl (3-methylbutoxy)acetate is an organic compound with the formula C10H18O3. The IUPAC name of this chemical is prop-2-enyl 2-(3-methylbutoxy)acetate. With the CAS registry number 67634-00-8, it is also named as Isoamyloxyacetic acid, allyl ester. The product's categories are A-B; Alphabetical Listings; Flavors and Fragrances. Besides, it is a clear colorless liquid.

Physical properties about Allyl (3-methylbutoxy)acetate are: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 2.84; (4)ACD/BCF (pH 5.5): 84.91; (5)ACD/BCF (pH 7.4): 84.91; (6)ACD/KOC (pH 5.5): 836.3; (7)ACD/KOC (pH 7.4): 836.3; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.431; (12)Molar Refractivity: 51.58 cm3; (13)Molar Volume: 198.9 cm3; (14)Polarizability: 20.44×10-24cm3; (15)Surface Tension: 28.7 dyne/cm; (16)Density: 0.936 g/cm3; (17)Flash Point: 81.1 °C; (18)Enthalpy of Vaporization: 47.64 kJ/mol; (19)Boiling Point: 239.5 °C at 760 mmHg; (20)Vapour Pressure: 0.04mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC\C=C)COCCC(C)C
(2)InChI: InChI=1/C10H18O3/c1-4-6-13-10(11)8-12-7-5-9(2)3/h4,9H,1,5-8H2,2-3H3 CopyCopied
(3)InChIKey: XCWPXUNHSPOFGV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H18O3/c1-4-6-13-10(11)8-12-7-5-9(2)3/h4,9H,1,5-8H2,2-3H3
(5)Std. InChIKey: XCWPXUNHSPOFGV-UHFFFAOYSA-N

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