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191183

Sigma-Aldrich

3,5,5-Trimethyl-2-cyclohexen-1-ol

96%

Synonym(s):

Isophorol

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About This Item

Linear Formula:
(CH3)3C6H6OH
CAS Number:
470-99-5
Molecular Weight:
140.22
Beilstein/REAXYS Number:
1929064
EC Number:
207-433-6
MDL number:
MFCD00001554
UNSPSC Code:
12352100
PubChem Substance ID:
24851473

assay

96%

refractive index

n20/D 1.472 (lit.)

bp

79.5-81.5 °C/8 mmHg (lit.)

density

0.918 g/mL at 25 °C (lit.)

SMILES string

CC1=CC(O)CC(C)(C)C1

InChI

1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h4,8,10H,5-6H2,1-3H3

InChI key

LDRWAWZXDDBHTG-UHFFFAOYSA-N

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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.

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

176.0 °F - closed cup

flash_point_c

80 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

Certificates of Analysis (COA)

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Environmentally benign oxidation using a palladium catalyst system.
Hayashi M, et al.
Green Chemistry, 2(6), 257-260 (2000)

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