2-Hydroxy-6-isopropyl-2,4,6-cycloheptatrien-1-one | CAS No. 499-44-5

2-Hydroxy-6-isopropyl-2,4,6-cycloheptatrien-1-one

Basic Information

CAS Number

499-44-5

Molecular Formula

C10H12O2

Molecular Weight

164.2 g/mol

EINECS

207-880-7

AD

Basic Physical Properties

Physical State

Powder

Melting Point

50.0 to 54.0 deg-C

Boiling Point

138°C/10mmHg

Density

1.0041 (rough estimate)

Flash Point

128.1°C

Solubility

,Ethyl Acetate

Refractive Index

1.5190 (estimate)

Vapor Pressure

0.0±1.4 mmHg at 25°C

CC(C)c1cccc(=O)c(O)c1

InChI

InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)

InChIKey

FUWUEFKEXZQKKA-UHFFFAOYSA-N

LogP

1.8758000000000001

pKa

7.06±0.30(Predicted)

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

280

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Storage Conditions

2-8℃

RTECS

GU4200000

Synonyms & References

English

  • beta-thujaplicin
  • HINOKITIOL
  • BETA-THUJAPLICINE
  • B-THUJAPLICIN
  • 2-HYDROXY-4-ISOPROPYLCYCLOHEPTA-2,4,6-TRIEN-1-ONE
  • 2-HYDROXY-4-ISOPROPYL-2,4,6-CYCLOHEPTATRIEN-1-ONE
  • 2-HYDROXY-4-ISOPROPYL-2,4,6-CYCLOHEPTATRIENE
  • 2-hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one
  • THUJAPLICIN, BETA- (RG)
  • THUJAPLICIN, BETA-(HINOKITIOL)(P)
  • β-Thujaplicin
  • 4-ISOPROPYLTROPOLONE
  • Hinokitol
  • Isopropyltropolone
  • β-Thujaplicine
  • 2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one
  • THUJAPLICIN, BETA
  • Tropolone, 4-isopropyl-
  • beta-Isopropyltropolon
  • .beta.-Thujaplicin
  • beta-Isopropyltropolone
  • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-
  • .beta.-Isopropyltropolon
  • .beta.-Thujaplicine
  • 2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
  • NSC1
  • E. faecalis
  • MRSA
  • C. glabrata
  • beta-Thujaplicin
  • 2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one

MDL Number

MFCD00040180

EC Number

207-880-7

Customs Code

2914400090

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