Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester supplier

Name
ethyl 1-hydroxycyclododecaneacetate
EINECS 276-287-3
CAS No. 72013-81-1
Article Data3
CAS DataBase
Density 0.957 g/cm³
Solubility
Melting Point
Formula C₁₆H₃₀O₃
Boiling Point 371.4 °C at 760 mmHg
Molecular Weight 270.412
Flash Point 143.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl (1-hydroxycyclododecyl)acetate;Ethyl 2-(1-hydroxycyclododecyl)acetate;CID11821693;
PSA 46.53000
LogP 3.97540

Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester Specification

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

Product Name

ethyl 1-hydroxycyclododecaneacetate

Cyclododecaneaceticacid, 1-hydroxy-, ethyl ester Specification

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