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8.14442

Sigma-Aldrich

3,3,5-Trimethylcyclohexanol

(mixture of cis- and trans- isomers) for synthesis

Synonym(s):

3,3,5-Trimethylcyclohexanol, Homomenthol, Dihydroisophorol

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About This Item

Empirical Formula (Hill Notation):
C9H18O
CAS Number:
Molecular Weight:
142.24
MDL number:
UNSPSC Code:
12352104
EC Index Number:
204-122-7

vapor pressure

1 hPa ( 50 °C)

form

crystals

autoignition temp.

375 °C (DIN 51794)

potency

3250 mg/kg LD50, oral (Rat)
2430 mg/kg LD50, skin (Rabbit)

expl. lim.

1.5 % (v/v)

pH

7 (20 °C, 1.8 g/L in H2O)

bp

193-196 °C/1013 hPa

mp

30-32 °C

transition temp

flash point 81 °C (DIN 51758)

solubility

1.8 g/L

density

0.86 g/cm3 at 60 °C

storage temp.

2-30°C

SMILES string

OC1CC(CC(C)(C1)C)C

InChI

1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3

InChI key

BRRVXFOKWJKTGG-UHFFFAOYSA-N

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Analysis Note

Assay isomers (GC, area%): ≥ 98.0 % (a/a)
Melting range (lower value): ≥ 28 °C
Melting range (upper value): ≤ 33 °C
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

pictograms

Corrosion

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_c

88 °C - open cup


Certificates of Analysis (COA)

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