Acetic acid, dihydroxy-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester


Chemical Name: Acetic acid, dihydroxy-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS Number: 111969-64-3
Product Number: AG003BHF(AGN-PC-0P2SQA)
Synonyms:
MDL No:
Molecular Formula: C12H22O4
Molecular Weight: 230.3007

Identification/Properties


Properties
MP:
76-78°C
BP:
320°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Air Sensitive
Computed Properties
Molecular Weight:
230.304g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
230.152g/mol
Monoisotopic Mass:
230.152g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
237
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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#:
3077
Hazard Statements:
H318-H373-H411
Precautionary Statements:
P273-P260-P280-P391-P314-P305+P351+P338+P310
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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