Basic Information | Post buying leads | Suppliers |
Name |
Cyclohexylmethyl 3-methylbutanoate |
EINECS | 239-944-5 |
CAS No. | 15840-95-6 | Density | 0.927 g/cm3 |
PSA | 26.30000 | LogP | 3.15600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H22O2 | Boiling Point | 237.9 °C at 760 mmHg |
Molecular Weight | 198.30188 | Flash Point | 95 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cyclohexylmethyl isovalerate; |
The Cyclohexylmethyl 3-methylbutanoate is an organic compound with the formula C12H22O2. The IUPAC name of this chemical is Cyclohexylmethyl 3-methylbutanoate. With the CAS registry number 15840-95-6, it is also named as Butanoic acid, 3-methyl-, cyclohexylmethyl ester. Besides, its molecular weight is 198.30188.
Physical properties about Cyclohexylmethyl 3-methylbutanoate are: (1)ACD/LogP: 4.18; (2)ACD/LogD (pH 5.5): 4.18; (3)ACD/LogD (pH 7.4): 4.18; (4)ACD/BCF (pH 5.5): 881.65; (5)ACD/BCF (pH 7.4): 881.65; (6)ACD/KOC (pH 5.5): 4465.24; (7)ACD/KOC (pH 7.4): 4465.24; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.447; (12)Molar Refractivity: 57.26 cm3; (13)Molar Volume: 213.9 cm3; (14)Polarizability: 22.7×10-24 cm3; (15)Surface Tension: 31.2 dyne/cm; (16)Density: 0.927 g/cm3; (17)Flash Point: 95 °C; (18)Enthalpy of Vaporization: 47.48 kJ/mol; (19)Boiling Point: 237.9 °C at 760 mmHg; (20)Vapour Pressure: 0.0436 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H22O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
(2)InChIKey: OPKFCIJVNFYFCT-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C12H22O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
(4)Std. InChIKey: OPKFCIJVNFYFCT-UHFFFAOYSA-N