Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester |
EINECS | 276-287-3 |
CAS No. | 72013-81-1 | Density | 0.957 g/cm3 |
PSA | 46.53000 | LogP | 3.97540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H30O3 | Boiling Point | 371.4 °C at 760 mmHg |
Molecular Weight | 270.412 | Flash Point | 143.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl (1-hydroxycyclododecyl)acetate;Ethyl 2-(1-hydroxycyclododecyl)acetate;CID11821693; |
Article Data | 3 |
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