Chemical Properties of Bisabolol oxide B (CAS 55399-12-7)

Bisabolol oxide B

InChI
InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3
InChI Key
RKBAYVATPNYHLW-UHFFFAOYSA-N
Formula
C15H26O2
SMILES
CC1=CCC(C2(C)CCC(C(C)(C)O)O2)CC1
Molecular Weight1
238.37
CAS
55399-12-7
Other Names
  • tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)furan-2-methanol
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Physical Properties

Property Value Unit Source
ΔfusH° 20.64 kJ/mol Joback Calculated Property
logPoct/wat 3.441 Crippen Calculated Property
McVol 207.930 ml/mol McGowan Calculated Property
Inp [1616.00; 1666.00]   Show Hide
Inp 1654.00 NIST
Inp 1655.00 NIST
Inp 1666.00 NIST
Inp 1654.00 NIST
Inp 1648.00 NIST
Inp 1636.00 NIST
Inp 1616.00 NIST
Inp 1618.00 NIST
Inp 1619.00 NIST
Inp 1619.00 NIST
Inp 1651.00 NIST
Inp 1651.00 NIST
Inp 1656.00 NIST
Inp 1654.00 NIST
Inp 1619.00 NIST
Tboil 577.81 K Relay (1.0) Calculated Property
Tfus 347.78 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [635.49; 741.78] J/mol×K [693.24; 909.93] Show Hide
Cp,gas 635.49 J/mol×K 693.24 Joback Calculated Property
Cp,gas 655.36 J/mol×K 729.35 Joback Calculated Property
Cp,gas 674.16 J/mol×K 765.47 Joback Calculated Property
Cp,gas 692.06 J/mol×K 801.58 Joback Calculated Property
Cp,gas 709.19 J/mol×K 837.70 Joback Calculated Property
Cp,gas 725.71 J/mol×K 873.81 Joback Calculated Property
Cp,gas 741.78 J/mol×K 909.93 Joback Calculated Property

Similar Compounds

2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2«alpha»,5«beta»(R*)]]-. «alpha»-Bisabolone oxide A. 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [3S-[3«alpha»,6«alpha»(R*)]]-. «alpha»-Bisabolone oxide A. Bisabolol oxide. Incensole. Isoincensole. Imcensole acetate. Isoincensole acetate. Incensole acetate. Incensole oxide. Incensole. Shiromool. Sobrerol 8-acetate. Pinol.

Find more compounds similar to Bisabolol oxide B.

Sources

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