Chemical Properties of 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [3S-[3«alpha»,6«alpha»(R*)]]- (CAS 22567-36-8)

2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [3S-[3«alpha»,6«alpha»(R*)]]-

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InChI
InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12?,13-,15-/m1/s1
InChI Key
WJHRAVIQWFQMKF-JYRZLJSNSA-N
Formula
C15H26O2
SMILES
CC1=CCC(C2(C)CCC(O)C(C)(C)O2)CC1
Molecular Weight1
238.37
CAS
22567-36-8
Other Names
  • (3S,6S)-2,2,6-Trimethyl-6-((S)-4-methylcyclohex-3-en-1-yl)tetrahydro-2H-pyran-3-ol
  • Bisabolol oxide A
  • 2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol-, (-)-
  • «alpha»-Bisabolol oxide
  • «alpha»-Bisabolol oxide A
  • Bisabolol oxide I
  • (3S-(3«alpha»,6«alpha»(R*)))-Tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3-ol
  • Bisaboloxide A
  • (-)-«alpha»-Bisabolol oxide A
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Physical Properties

Property Value Unit Source
Δf -104.69 kJ/mol Joback Calculated Property
Δfgas -492.41 kJ/mol Joback Calculated Property
Δfus 20.72 kJ/mol Joback Calculated Property
Δvap 69.06 kJ/mol Joback Calculated Property
log10WS -4.19 Crippen Calculated Property
logPoct/wat 3.441 Crippen Calculated Property
McVol 207.930 ml/mol McGowan Calculated Property
Pc 2224.99 kPa Joback Calculated Property
Inp [1672.00; 1758.80]   Show Hide
Inp 1758.80 NIST
Inp Outlier 1672.00 NIST
Inp 1744.00 NIST
Inp 1746.00 NIST
Inp 1734.00 NIST
Inp 1730.00 NIST
Inp 1698.00 NIST
Inp 1702.00 NIST
Inp 1702.00 NIST
Inp 1702.00 NIST
Inp 1735.00 NIST
Inp 1735.00 NIST
I [2359.00; 2400.00]   Show Hide
I 2400.00 NIST
I 2400.00 NIST
I 2359.00 NIST
I 2388.00 NIST
Tboil 696.11 K Joback Calculated Property
Tc 915.11 K Joback Calculated Property
Tfus 413.56 K Joback Calculated Property
Vc 0.761 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [634.07; 750.18] J/mol×K [696.11; 915.11] Show Hide
Cp,gas 634.07 J/mol×K 696.11 Joback Calculated Property
Cp,gas 654.68 J/mol×K 732.61 Joback Calculated Property
Cp,gas 674.52 J/mol×K 769.11 Joback Calculated Property
Cp,gas 693.78 J/mol×K 805.61 Joback Calculated Property
Cp,gas 712.67 J/mol×K 842.11 Joback Calculated Property
Cp,gas 731.40 J/mol×K 878.61 Joback Calculated Property
Cp,gas 750.18 J/mol×K 915.11 Joback Calculated Property

Similar Compounds

«alpha»-Bisabolone oxide A. Bisabolol oxide. «alpha»-Bisabolone oxide A. Bisabolol oxide B. 2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2«alpha»,5«beta»(R*)]]-. Incensole. Isoincensole. Incensole. Incensole oxide. Shiromool. Sobrerol 8-acetate. Imcensole acetate. Isoincensole acetate. GA34, methyl ester. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione.

Find more compounds similar to 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [3S-[3«alpha»,6«alpha»(R*)]]-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.