1-Ethynyl-1-cyclohexanol


Chemical Name: 1-Ethynyl-1-cyclohexanol
CAS Number: 78-27-3
Product Number: AG00ICWQ(AGN-PC-0WA4L4)
Synonyms:
MDL No:
Molecular Formula: C8H12O
Molecular Weight: 124.18028

Identification/Properties


Properties
MP:
30-33 °C(lit.)
BP:
180°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
1.481-1.484
Solubility:
10 g/L (20°C)
Computed Properties
Molecular Weight:
124.183g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
124.089g/mol
Monoisotopic Mass:
124.089g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
134
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2810
Hazard Statements:
H302-H311-H315-H319
Precautionary Statements:
P280-P305+P351+P338-P312
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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