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470-99-5

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470-99-5 Structure

470-99-5 Structure
IdentificationBack Directory
[Name]

3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL
[CAS]

470-99-5
[Synonyms]

AKOS 50
ISOPHOROL
3,5,5-triMethylcyclohex-2-enol
1,5,5-Trimethylcyclohexene-3-ol
3,5,5-trimethyl-2-cyclohexen-1-o
3,5,5-trimethylcyclohex-2-en-1-ol
3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL
3,5,5-Trimethyl-2-cyclohexen-1-ol,95%
[EINECS(EC#)]

207-433-6
[Molecular Formula]

C9H16O
[MDL Number]

MFCD00001554
[MOL File]

470-99-5.mol
[Molecular Weight]

140.22
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

79.5-81.5 °C8 mm Hg(lit.)
[density ]

0.918 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.472(lit.)
[Fp ]

176 °F
[pka]

14.74±0.60(Predicted)
[BRN ]

1929064
[InChIKey]

LDRWAWZXDDBHTG-UHFFFAOYSA-N
[LogP]

2.436 (est)
[CAS DataBase Reference]

470-99-5
[EPA Substance Registry System]

2-Cyclohexen-1-ol, 3,5,5-trimethyl- (470-99-5)
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Synthesis Reference(s)]

Journal of the American Chemical Society, 100, p. 2226, 1978 DOI: 10.1021/ja00475a040
The Journal of Organic Chemistry, 47, p. 3311, 1982 DOI: 10.1021/jo00138a021
[General Description]

3,5,5-Trimethyl-2-cyclohexen-1-ol undergoes oxidation in the presence of palladium on activated charcoal under an ethylene atmosphere to yield the corresponding carbonyl compound.
Safety DataBack Directory
[Safety Statements ]

23-24/25
[WGK Germany ]

3
[HS Code ]

29061990
Spectrum DetailBack Directory
[Spectrum Detail]

3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL(470-99-5)MS
3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL(470-99-5)1HNMR
3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL(470-99-5)13CNMR
3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL(470-99-5)IR1
3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL(470-99-5)Raman
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