3-Cyclohexenyl 3-cyclohexene 1-carboxylate supplier

Name
3-Cyclohexenyl 3-cyclohexene 1-carboxylate
EINECS 220-031-5
CAS No. 2611-00-9
Article Data15
CAS DataBase
Density 1.033 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₀O₂
Boiling Point 303.8 °C at 760 mmHg
Molecular Weight 220.312
Flash Point 130.2 °C
Transport Information
Appearance Colorless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,5,6-Tetrahydrobenzyl1,2,5,6-tetrahydrobenzoate;3-Cyclohexen-1-ylmethyl 3-cyclohexenecarboxylate;3-Cyclohexenylmethyl3'-cyclohexene-1-carboxylate;Diene 221;NSC 49615;
PSA 26.30000
LogP 3.24220

3-Cyclohexenyl 3-cyclohexene 1-carboxylate Specification

The IUPAC name of 3-Cyclohexene-1-carboxylicacid, 3-cyclohexen-1-ylmethyl ester is cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate. With the CAS registry number 2611-00-9, it is also named as 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate. In addition, its molecular formula is C₁₄H₂₀O₂ and molecular weight is 220.31.

The other characteristics of 3-Cyclohexene-1-carboxylicacid, 3-cyclohexen-1-ylmethyl ester can be summarized as: (1)EINECS: 220-031-5; (2)ACD/LogP: 4.09; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.09; (5)ACD/LogD (pH 7.4): 4.09; (6)ACD/BCF (pH 5.5): 753.54; (7)ACD/BCF (pH 7.4): 753.54; (8)ACD/KOC (pH 5.5): 3990.58; (9)ACD/KOC (pH 7.4): 3990.58; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 4; (13)Polar Surface Area: 26.3 Å²; (14)Index of Refraction: 1.507; (15)Molar Refractivity: 63.51 cm³; (16)Molar Volume: 213.1 cm³; (17)Polarizability: 25.17×10^-24cm³; (18)Surface Tension: 37.7 dyne/cm; (19)Density: 1.033 g/cm³; (20)Flash Point: 130.2 °C; (21)Enthalpy of Vaporization: 54.41 kJ/mol; (22)Boiling Point: 303.8 °C at 760 mmHg; (23)Vapour Pressure: 0.000912 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC1C/C=C\CC1)C2C/C=C\CC2
(2)InChI: InChI=1/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2
(3)InChIKey: FJPFRSQDAFMEKD-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2
(5)Std. InChIKey: FJPFRSQDAFMEKD-UHFFFAOYSA-N

Product Name

3-Cyclohexenyl 3-cyclohexene 1-carboxylate

3-Cyclohexenyl 3-cyclohexene 1-carboxylate Specification

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