Chemical Properties of (S)-2,2,6-Trimethyl-6-((S)-4-methylcyclohex-3-en-1-yl)dihydro-2H-pyran-3(4H)-one (CAS 22567-38-0)

(S)-2,2,6-Trimethyl-6-((S)-4-methylcyclohex-3-en-1-yl)dihydro-2H-pyran-3(4H)-one

InChI
InChI=1S/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12H,6-10H2,1-4H3/t12-,15+/m0/s1
InChI Key
MJWZYBQLHJQQJJ-SWLSCSKDSA-N
Formula
C15H24O2
SMILES
CC1=CCC(C2(C)CCC(=O)C(C)(C)O2)CC1
Molecular Weight1
236.35
CAS
22567-38-0
Other Names
  • 2H-Pyran-3(4H)-one, dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,R*)]-
  • (-)-«alpha»-Bisabolonoxide
  • Bisabolone oxide A
  • «alpha»-Bisabolone oxide A
  • [S-(R*,R*)]-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one
  • Bisabolon oxide A
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Physical Properties

Property Value Unit Source
ΔfusH° 15.07 kJ/mol Joback Calculated Property
logPoct/wat 3.650 Crippen Calculated Property
McVol 203.630 ml/mol McGowan Calculated Property
Inp [1657.00; 1679.00]   Show Hide
Inp 1679.00 NIST
Inp 1670.00 NIST
Inp 1657.00 NIST
Inp 1657.00 NIST
I [2158.00; 2158.00]   Show Hide
I 2158.00 NIST
I 2158.00 NIST
I 2158.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [599.88; 731.41] J/mol×K [676.62; 927.00] Show Hide
Cp,gas 599.88 J/mol×K 676.62 Joback Calculated Property
Cp,gas 623.59 J/mol×K 718.35 Joback Calculated Property
Cp,gas 646.23 J/mol×K 760.08 Joback Calculated Property
Cp,gas 668.06 J/mol×K 801.81 Joback Calculated Property
Cp,gas 689.36 J/mol×K 843.54 Joback Calculated Property
Cp,gas 710.39 J/mol×K 885.27 Joback Calculated Property
Cp,gas 731.41 J/mol×K 927.00 Joback Calculated Property

Similar Compounds

2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)dihydro-2H-pyran-4(3H)-one. «alpha»-Bisabolol acetate. epi-«alpha»-Bisabolol, acetate. «alpha»-Bisabolol, acetate. Terpinyl valerate. 3-Cyclohexene-1-methanol, «alpha»,«alpha»,4-trimethyl-, propanoate. «alpha»-Terpinyl isovalerate. Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester. «alpha»-Terpinyl acetate. «alpha»-Terpinyl acetate. trans-«beta»-Terpinyl butanoate. Tau-Cadinol acetate. 8-Acetoxycarvotanacetone. Terpinyl formate. Menth-1-en-9-yl tiglate, p-.

Find more compounds similar to (S)-2,2,6-Trimethyl-6-((S)-4-methylcyclohex-3-en-1-yl)dihydro-2H-pyran-3(4H)-one.

Sources

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