Skip to main content

Ketoisophorone

ADVERTISEMENT
Identification
Molecular formula
C9H12O2
CAS number
1193-23-1
IUPAC name
2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one
State
State

This compound is typically found in a solid state at room temperature. It usually takes the form of crystalline powder or flakes.

Melting point (Celsius)
66.50
Melting point (Kelvin)
339.65
Boiling point (Celsius)
238.50
Boiling point (Kelvin)
511.65
General information
Molecular weight
152.20g/mol
Molar mass
152.1950g/mol
Density
1.0890g/cm3
Appearence

Ketoisophorone is a yellow, crystalline solid. It has a distinct smell that is often described as sweet or floral, similar to violets, which is why it is sometimes used in perfumery.

Comment on solubility

Solubility of 2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one (C9H12O2)

The solubility of 2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one is an intriguing aspect of this compound. When considering the solubility, several factors come into play:

  • Polarity: As a compound containing hydroxyl (-OH) groups, it exhibits polar characteristics which can lead to reasonable solubility in polar solvents like water.
  • Hydrophobic regions: The presence of isopropyl groups introduces hydrophobic character, which may restrict its solubility in highly polar solvents.
  • Solvent Compatibility: It tends to dissolve better in organic solvents, such as ethanol, acetone, or chloroform, due to the balance between its polar and non-polar components.

In summary, the solubility of this compound can be described as:

  • Moderately soluble in polar solvents
  • More soluble in non-polar organic solvents

Understanding solubility is crucial for various applications in chemistry, including synthesis, formulation, and environmental impact assessments. As stated, "The solubility of a compound is essential for its reactivity and interactions in solutions."

Interesting facts

Interesting Facts about 2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one

The compound 2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one is a fascinating member of the chemical family of cycloheptatrienes. Its unique structure contributes to its intriguing reactivity and potential applications in various fields.

Unique Features

This compound has a number of interesting features that make it significant:

  • Structural Complexity: Its bicyclic structure allows for unique spatial arrangement and reactivity that can lead to a variety of applications in organic synthesis.
  • Position of Hydroxy Group: The hydroxy group plays a key role in defining the compound’s physical and chemical properties, influencing reactivity and polarity.
  • Isopropyl Substitution: The presence of the isopropyl group not only contributes to steric hindrance but also enhances the compound's hydrophobic characteristics.

Applications and Implications

The synthesis and study of such compounds have broad implications, particularly in:

  • Drug Design: Compounds of this nature often serve as intermediates in the synthesis of pharmaceutical agents.
  • Material Science: The unique electronic properties of cycloheptatrienes make them interesting candidates for the development of new materials.
  • Organic Chemistry Research: Understanding the reactions involving this compound can shed light on the mechanisms of various organic reactions.

Quote to Ponder

As the renowned chemist Linus Pauling once said, “The best way to have a good idea is to have a lot of ideas.” Exploring compounds like 2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one certainly leads to a wealth of ideas for innovation in chemistry!

Synonyms
hinokitiol
499-44-5
beta-Thujaplicin
4-Isopropyltropolone
Hinokitol
beta-Thujaplicine
Isopropyltropolone
.beta.-Thujaplicin
THUJAPLICIN, BETA
Tropolone, 4-isopropyl-
beta-Isopropyltropolon
2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-
2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one
beta-Isopropyltropolone
NSC 18804
.beta.-Isopropyltropolon
2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one
EINECS 207-880-7
2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
.beta.-Thujaplicine
BRN 2045206
U5335D6EBI
CHEBI:10447
AI3-28398
2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
NSC18804
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-4-ISOPROPYL-
2-Hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one
MFCD00040180
NSC-18804
HINOKITIOL [WHO-DD]
CHEMBL48310
MLS001048906
Hinokitiol 4-Isopropyltropolone
DTXSID6043911
.BETA.-THUJAPLICIN [MI]
4-08-00-00488 (Beilstein Handbook Reference)
SMR000387099
|A-Thujaplicin
2-hydroxy-4-isopropyl-cyclohepta2,4,6-trien-1-one
2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one
?-Thujaplicin
UNII-U5335D6EBI
b-Thujaplicin
|A-thujaplici
beta -thujaplicin
beta -thujaplicine
6-Isopropyl-tropolon
Thujaplicin, .beta.
2-hydroxy-4-isopropyl- 2,4,6-cycloheptatriene-1-one
4-isopropyl-tropolone
beta -isopropyltropolon
beta-Thujaplicin, 99%
4(6)-Isopropyltropolone
HINOKITIOL [INCI]
NCIMech_000141
cid_3611
BSPBio_001025
KBioGR_000365
KBioSS_000365
BIDD:ER0491
SCHEMBL158795
SPECTRUM1505160
2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one
DTXCID4023911
BDBM79632
FUWUEFKEXZQKKA-UHFFFAOYSA-
KBio2_000365
KBio2_002933
KBio2_005501
KBio3_000709
KBio3_000710
WLN: L7VJ BQ DY1&1
Bio2_000343
Bio2_000823
GLXC-10286
HMS1362C07
HMS1792C07
HMS1990C07
HMS2269D23
HMS3403C07
HY-B2230
BBL036671
BDBM50330794
CCG-35378
s4771
STL559050
AKOS015895184
AKOS037515521
CS-7724
FH75360
KS-5297
IDI1_002098
QTL1_000044
NCGC00094565-01
NCGC00094565-02
NCGC00094565-03
NCGC00094565-04
NCGC00094565-05
NCGC00179338-01
NCI60_001565
SY052139
DB-051705
H0142
NS00003151
C09904
C75327
D04876
EN300-222362
beta-Thujaplicin, SAJ special grade, >=99.0%
2-Hydroxy-4-isopropyl-2,6-cycloheptatrien-1-one
2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone
SR-01000737397
2,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-
Q2705171
SR-01000737397-2
2-Hydroxy-4-isopropyl-2,4, 6-cycloheptatrien-1-one
2-hydroxy-4-isopropyl-2,4,6-cycloheptatriene-1-one
BRD-K37691127-001-02-2
2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone
2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one
Z1255485978
2,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-
hydron;7-oxo-5-propan-2-ylcyclohepta-1,3,5-trien-1-olate
(2E,4Z,6Z)-2-hydroxy-4-isopropylcyclohepta-2,4,6-trienone
2-Hydroxy-4(6)-(1-methylethyl)-2,4,6-cycloheptatrien-1-one, 9CI
InChI=1/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)