Chemical Properties of 2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2«alpha»,5«beta»(R*)]]- (CAS 26184-88-3)

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/t12?,13-,15-/m0/s1

InChI Key

RKBAYVATPNYHLW-MHEXWIEDSA-N

Formula

C15H26O2

SMILES

CC1=CCC(C2(C)CCC(C(C)(C)O)O2)CC1

Molecular Weight¹

238.37

CAS

26184-88-3

Other Names

• 2-((2S,5S)-5-Methyl-5-((S)-4-methylcyclohex-3-en-1-yl)tetrahydrofuran-2-yl)propan-2-ol
• «alpha»-Bisabolol oxide B
• Bisabolol oxide II
• 2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-
• 2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2«alpha»,5«beta»(R)]]-
• (-)-Bisabolol oxide B
• (-)-«alpha»-Bisabolol oxide B
• [2S-[2«alpha»,5«beta»(R*)]]-tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)furan-2-methanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

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	[1644.00; 1676.00]
Inp	1658.00		NIST
Inp	1655.00		NIST
Inp	1652.00		NIST
Inp	Outlier 1676.00		NIST
Inp	1652.00		NIST
Inp	1658.00		NIST
Inp	1646.00		NIST
Inp	1658.00		NIST
Inp	1647.00		NIST
Inp	1654.00		NIST
Inp	1656.00		NIST
Inp	1644.00		NIST
Inp	1649.00		NIST
Inp	1663.00		NIST
Inp	1652.00		NIST
Inp	1658.00		NIST
Inp	1649.00		NIST
Inp	Outlier 1676.00		NIST
Inp	1647.00		NIST
I	[2156.00; 2163.00]
I	2156.00		NIST
I	Outlier 2163.00		NIST
I	2156.00		NIST
I	2157.00		NIST
I	2157.00		NIST
I	2156.00		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	[635.37; 741.67]	J/mol×K	[693.04; 909.66]
Cp,gas	635.37	J/mol×K	693.04	Joback Calculated Property
Cp,gas	655.24	J/mol×K	729.14	Joback Calculated Property
Cp,gas	674.05	J/mol×K	765.25	Joback Calculated Property
Cp,gas	691.94	J/mol×K	801.35	Joback Calculated Property
Cp,gas	709.08	J/mol×K	837.46	Joback Calculated Property
Cp,gas	725.60	J/mol×K	873.56	Joback Calculated Property
Cp,gas	741.67	J/mol×K	909.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2«alpha»,5«beta»(R*)]]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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