Acetic acid, [[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-


Chemical Name: Acetic acid, [[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-
CAS Number: 40248-63-3
Product Number: AG003BBN(AGN-PC-0O9ZW1)
Synonyms:
MDL No:
Molecular Formula: C12H22O3
Molecular Weight: 214.3013

Identification/Properties


Properties
MP:
52-55 °C(lit.)
BP:
163-164 °C10 mm Hg(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.4672(lit.)
Computed Properties
Molecular Weight:
214.305g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
214.157g/mol
Monoisotopic Mass:
214.157g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
213
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
3
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:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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