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Safety Information

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

40050-BULK-F:
40050-100ML-F:
40050-VAR-F:

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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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)
Genus Pouteria: Chemistry and biological activity.
Silva CAM, et al.
Revista Brasileira de Farmacognosia, 19(2A), 501-509 (2009)

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