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| CAS No.: | 7367-88-6 |
|---|---|
| Name: | ETHYL TRANS-2-DECENOATE |
| Article Data: | 54 |
| Molecular Structure: | |
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| Formula: | C12H22O2 |
| Molecular Weight: | 198.305 |
| Synonyms: | 2-Decenoicacid, ethyl ester, (E)- (8CI);Ethyl 2-(E)-decenoate;Ethyl (E)-2-decenoate; |
| EINECS: | 230-918-9 |
| Density: | 0.886 g/cm3 |
| Boiling Point: | 254.9 °C at 760 mmHg |
| Flash Point: | 118.8 °C |
| Appearance: | colourless liquid |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 3.46620 |
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Specification
The 2-Decenoic acid, ethylester, (2E)-, also known as Ethyl trans-2-decenoate, is the organic compound with the formula C12H22O2. Its EINECS registry number is 230-918-9. With the CAS registry number 7367-88-6, its IUPAC name is ethyl (E)-dec-2-enoate. The substance which is a colourless liquid should be sealed and stored in cool and dry place.
Physical properties of 2-Decenoic acid, ethylester, (2E)-: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#Freely Rotating Bonds: 9; (5)Index of Refraction: 1.444; (6)Molar Refractivity: 59.47 cm3; (7)Molar Volume: 223.7 cm3; (8)Surface Tension: 29.5 dyne/cm; (9)Density: 0.886 g/cm3; (10)Flash Point: 118.8 °C; (11)Enthalpy of Vaporization: 49.23 kJ/mol; (12)Boiling Point: 254.9 °C at 760 mmHg; (13)Vapour Pressure: 0.0168 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The substance is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCC=CC(=O)OCC
(2)Isomeric SMILES: CCCCCCC/C=C/C(=O)OCC
(3)InChI: InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10+
(4)InChIKey: GNJARWZWODMTDR-ZHACJKMWSA-N