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CAS No.: | 72013-81-1 |
---|---|
Name: | ethyl 1-hydroxycyclododecaneacetate |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C16H30O3 |
Molecular Weight: | 270.412 |
Synonyms: | Ethyl (1-hydroxycyclododecyl)acetate;Ethyl 2-(1-hydroxycyclododecyl)acetate;CID11821693; |
EINECS: | 276-287-3 |
Density: | 0.957 g/cm3 |
Boiling Point: | 371.4 °C at 760 mmHg |
Flash Point: | 143.4 °C |
PSA: | 46.53000 |
LogP: | 3.97540 |
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The Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester with CAS registry number of 72013-81-1 is also known as Ethyl (1-hydroxycyclododecyl)acetate. The IUPAC name is Ethyl 2-(1-hydroxycyclododecyl)acetate. Its EINECS registry number is 276-287-3. In addition, the formula is C16H30O3 and the molecular weight is 270.41.
Physical properties about Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester are: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.459; (7)Molar Refractivity: 77.2 cm3; (8)Molar Volume: 282.3 cm3; (9)Surface Tension: 33.6 dyne/cm; (10)Density: 0.957 g/cm3; (11)Flash Point: 143.4 °C; (12)Enthalpy of Vaporization: 71.56 kJ/mol; (13)Boiling Point: 371.4 °C at 760 mmHg; (14)Vapour Pressure: 4.96E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOC(=O)CC1(CCCCCCCCCCC1)O
2. InChI: InChI=1S/C16H30O3/c1-2-19-15(17)14-16(18)12-10-8-6-4-3-5-7-9-11-13-16/h18H,2-14H2,1H3
3. InChIKey: DOYUNYYERFSZJK-UHFFFAOYSA-N