Chemical Properties of 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3e)- (CAS 25312-34-9)

3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3e)-

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InChI
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+
InChI Key
PWDOJWCZWKWKSE-BQYQJAHWSA-N
Formula
C13H22O
SMILES
CC1=CCCC(C)(C)C1C=CC(C)O
Molecular Weight1
194.31
CAS
25312-34-9
Other Names
  • 4-(2,6,6-Trimethyl)-2-cyclohexen-1-yl-3-buten-2-ol
  • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-trans-3-buten-2-ol
  • 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-ol, (3E)-
  • 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol («alpha»-ionol)
  • alpha-lonol
  • «alpha»-Ionol
Sources

Physical Properties

Property Value Unit Source
Δf 31.12 kJ/mol Joback Calculated Property
Δfgas -256.41 kJ/mol Joback Calculated Property
Δfus 17.63 kJ/mol Joback Calculated Property
Δvap 60.70 kJ/mol Joback Calculated Property
logPoct/wat 3.31 Crippen Calculated Property
Pc 2320.31 kPa Joback Calculated Property
Tboil 612.00 K Joback Calculated Property
Tc 811.83 K Joback Calculated Property
Tfus 317.33 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 480.30 J/mol×K 612.0 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=CH- (ring) 1
-OH (alcohol) 1
=C< (ring) 1
=CH- 2
>C< (ring) 1
-CH3 4
>CH- (ring) 1
-CH2- (ring) 2

Similar Compounds

Veltonal. Ionone. «alpha»-Ionone. «alpha»-Ionone. 3-hydroxy-«alpha»-ionol. 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. Methyl ionone 3. Methylionone 4. (E)-4-(3-Oxo-2,6,6-trimethylcyclohex-1-en-1-yl)-3-buten-2-ol. 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-. (9R)-9-Hydroxy-4-7E-megastigmadien-3-one. Cyclohexene, 6-(2-butenyl)-1,5,5-trimethyl-, (E)-. trans-«alpha»-Irone. (E)-4-((1R,5S)-2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one-rel-. «alpha»-Irone.

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