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| CAS No.: | 7493-69-8 |
|---|---|
| Name: | Allyl 2-ethylbutyrate |
| Molecular Structure: | |
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| Formula: | C9H16O2 |
| Molecular Weight: | 156.225 |
| Synonyms: | Butyric acid, 2-ethyl-, 2-propenyl ester;Butanoic acid, 2-ethyl-, 2-propenyl ester;2-Propenyl 2-ethylbutanoate;prop-2-enyl 2-ethylbutanoate;2-Propenyl 2-ethylbutyrate;Butyric acid, 2-ethyl-, allyl ester;FEMA No. 2029;Allyl 2-ethylbutyrate; |
| EINECS: | 231-332-6 |
| Density: | 0.887 g/cm3 |
| Boiling Point: | 187.1 °C at 760 mmHg |
| Flash Point: | 67.3 °C |
| Risk Codes: | 10 |
| Safety: | 16-29-33 |
| PSA: | 26.30000 |
| LogP: | 2.15180 |
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Specification
The Allyl 2-ethylbutyrate is an organic compound with the formula C9H16O2. The IUPAC name of this chemical is prop-2-enyl 2-ethylbutanoate. With the CAS registry number 7493-69-8, it is also named as 2-Propenyl 2-ethylbutanoate. The product's categories are A-B; Alphabetical Listings; Flavors and Fragrances.
Physical properties about Allyl 2-ethylbutyrate are: (1)ACD/LogP: 2.94; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 2.94; (4)ACD/BCF (pH 5.5): 100.21; (5)ACD/BCF (pH 7.4): 100.21; (6)ACD/KOC (pH 5.5): 941.59; (7)ACD/KOC (pH 7.4): 941.59; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.427; (12)Molar Refractivity: 45.2 cm3; (13)Molar Volume: 176 cm3; (14)Polarizability: 17.92×10-24cm3; (15)Surface Tension: 27 dyne/cm; (16)Density: 0.887 g/cm3; (17)Flash Point: 67.3 °C; (18)Enthalpy of Vaporization: 42.33 kJ/mol; (19)Boiling Point: 187.1 °C at 760 mmHg; (20)Vapour Pressure: 0.641 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. Please keep away from sources of ignition - No smoking and take precautionary measures against static discharges. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC\C=C)C(CC)CC
(2)InChI: InChI=1/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
(3)InChIKey: NBKXNUWCFMZFMM-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
(5)Std. InChIKey: NBKXNUWCFMZFMM-UHFFFAOYSA-N