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| CAS No.: | 61692-83-9 |
|---|---|
| Name: | Propyl tiglate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H14O2 |
| Molecular Weight: | 142.198 |
| Synonyms: | 2-Butenoicacid, 2-methyl-, propyl ester, (E)-;Propyl tiglate; |
| EINECS: | 262-906-4 |
| Density: | 0.902 g/cm3 |
| Boiling Point: | 176-180 ºC |
| Flash Point: | 137 ºF |
| Transport Information: | UN 3272 |
| PSA: | 26.30000 |
| LogP: | 1.90580 |
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Specification
The Propyl tiglate, with the cas registry number 61692-83-9, is also known as Propyl (2E)-2-methylbut-2-enoate and 2-Butenoic acid, 2-methyl-, propyl ester, (2E)-. It belongs to the product categories of Aromatic Esters. Its EINECS number is 262-906-4. This chemical's molecular formula is C8H14O2 and formula weight is 142.2. What's more, both its IUPAC name and systematic name are the same which is called Propyl (E)-2-methylbut-2-enoate.
Physical properties about this chemical are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.431; (8)Molar Refractivity: 40.78 cm3; (9)Molar Volume: 157.4 cm3; (10)Surface Tension: 26.8 dyne/cm; (11)Density: 0.902 g/cm3; (12)Flash Point: 58.3 °C; (13)Enthalpy of Vaporization: 40.79 kJ/mol; (14)Boiling Point: 171.6 °C at 760 mmHg; (15)Vapour Pressure: 1.39 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCOC(=O)C(=CC)C
(2)Isomeric SMILES: CCCOC(=O)/C(=C/C)/C
(3)InChI: InChI=1S/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h5H,4,6H2,1-3H3/b7-5+
(4)InChIKey: RZWMDOQSXWAAMC-FNORWQNLSA-N