trans-2-Methylcyclohexanol
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trans-2-Methylcyclohexanol
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CAS No:
7443-52-9
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Formula:
C7H14O
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Chemical Name:
trans-2-Methylcyclohexanol
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Synonyms:
Cyclohexanol,2-methyl-,(1R,2R)-rel-;Cyclohexanol,2-methyl-,trans-;rel-(1R,2R)-2-Methylcyclohexanol;trans-2-Methylcyclohexanol;trans-2-Methyl-1-cyclohexanol;(±)-trans-2-Methylcyclohexanol;trans-1-Hydroxy-2-methylcyclohexane;NSC 244887;NSC 245854;rel-(1S,2S)-2-Methylcyclohexanol;615-39-4
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CAS No:
Characteristics
20.2
1.83
Straw-colored liquid with a weak odor of coconut oil. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
0.9238 g/cm3 @ Temp: 20 °C
-21 °C
167.4 °C
58.9±0.0 °C
1.463
Solubility in water: poor
Safety Information
III
UN 2617 3/PG 3
3
R20/21/22;R36/37/38
S26;S38;S36/S37/S39
Xn
P261, P271, P304+P312, P304+P340, P312
H226-H332
|Warning|H226 (14.23%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 274 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H332: Harmful if inhaled [Warning Acute toxicity, inhalation]|P261, P271, P304+P312, P304+P340, and P312
Computed Properties
Molecular Weight:114.19
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:70.8
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes