Chemical Properties of S-(+)-5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one (CAS 60593-11-5)

S-(+)-5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one

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InChI
InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8,12H,5-6H2,1-3H3/t8-/m0/s1
InChI Key
DJOOMNLGIUGRKD-QMMMGPOBSA-N
Formula
C10H16O2
SMILES
CC1=CCC(C(C)(C)O)CC1=O
Molecular Weight1
168.23
CAS
60593-11-5
Other Names
  • (S)-8-Hydroxy-p-menth-1-en-6-one
  • 5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one, (S)-
  • Carvon hydrate
  • Carvone hydrate
  • D-8-Hydroxycarvotanacetone
Sources

Physical Properties

Property Value Unit Source
Δf -178.47 kJ/mol Joback Calculated Property
Δfgas -447.78 kJ/mol Joback Calculated Property
Δfus 10.51 kJ/mol Joback Calculated Property
Δvap 58.87 kJ/mol Joback Calculated Property
logPoct/wat 1.68 Crippen Calculated Property
Pc 3065.95 kPa Joback Calculated Property
Tboil 430.70 K NIST
Tc 822.00 K Joback Calculated Property
Tfus 354.58 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 384.00 J/mol×K 608.66 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 3
=CH- (ring) 1
-OH (alcohol) 1
=C< (ring) 1
>C< 1
>C=O (ring) 1
>CH- (ring) 1
-CH2- (ring) 2

Similar Compounds

8-Acetoxycarvotanacetone. 5-Hydroxy-p-menth-6-en-2-one. trans-5-Hydroxy-p-menth-1(6)-en-2-one. cis-5-Hydroxy-p-menth-1(6)-en-2-one. 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-. p-Menth-6-en-2-one. 6-hydroxycarvotanacetone. cis-«alpha»-terpineol. «alpha»-Terpineol. Terpineol. L-«alpha»-Terpineol. (-)-«alpha»-bisabolol. Levomenol. «alpha»-epi-Bisabolol. «alpha»-Bisabolol.

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