7731-29-5

Name TRANS-4-METHYLCYCLOHEXANOL
CAS 7731-29-5
EINECS(EC#) 231-790-7
Molecular Formula C7H14O
MDL Number MFCD00064171
Molecular Weight 114.19
MOL File 7731-29-5.mol
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Chemical Properties

Appearance CLEAR COLOURLESS LIQUID
Melting point  -9.2°C (estimate)
Boiling point  173-175 °C(lit.)
density  0.912 g/mL at 25 °C(lit.)
refractive index  n20/D 1.455(lit.)
Fp  158 °F
storage temp.  Store at room temperature
form  clear liquid
pka 15.32±0.40(Predicted)
color  Colorless to Almost colorless
Water Solubility  Slightly soluble in water.
InChI 1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7-
InChIKey MQWCXKGKQLNYQG-LJGSYFOKSA-N
SMILES C[C@@H]1CC[C@@H](O)CC1
CAS DataBase Reference 7731-29-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
WGK Germany  3
HS Code  2906190090
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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