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40050

Sigma-Aldrich

3,5-Dimethylcyclohexanol

mixture of stereo isomers, ≥97.0% (GC)

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About This Item

Linear Formula:
(CH3)2C6H9OH
CAS Number:
5441-52-1
Molecular Weight:
128.21
Beilstein:
2036694
EC Number:
226-630-8
MDL number:
MFCD00001447
UNSPSC Code:
12352100
PubChem Substance ID:
57649924
NACRES:
NA.22

Assay

≥97.0% (GC)

refractive index

n20/D 1.455 (lit.)
n20/D 1.455

bp

185-186 °C (lit.)

mp

11-12 °C (lit.)

density

0.892 g/mL at 25 °C (lit.)

SMILES string

CC1CC(C)CC(O)C1

InChI

1S/C8H16O/c1-6-3-7(2)5-8(9)4-6/h6-9H,3-5H2,1-2H3

InChI key

WIYNOPYNRFPWNB-UHFFFAOYSA-N

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General description

3,5-Dimethylcyclohexanol has been reported to be present in the essential oil from Pouteria splendens leaves by GC-MS analysis.

Application

3,5-Dimethylcyclohexanol may be used in the preparation of 1-chloro-3,5-dimethylcyclohexane.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

165.2 °F - closed cup

Flash Point(C)

74 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Genus Pouteria: Chemistry and biological activity.
Silva CAM, et al.
Revista Brasileira de Farmacognosia, 19(2A), 501-509 (2009)
Long-range proton hyperfine splittings in the epr spectra of cyclohexyl and alkylcyclohexyl radicals: ring inversion in the cyclohexyl radical.
Roberts BP and Steel AJ.
Journal of the Chemical Society. Perkin Transactions 1, 211, 2025-2029 (1992)

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