2-Cyclohexen-1-one, 3,5,5-trimethyl-


Chemical Name: 2-Cyclohexen-1-one, 3,5,5-trimethyl-
CAS Number: 78-59-1
Product Number: AG003R4A(AGN-PC-0JK7N0)
Synonyms:
MDL No:
Molecular Formula: C9H14O
Molecular Weight: 138.2069

Identification/Properties


Properties
MP:
−8 °C(lit.)
BP:
215.2°C at 760 mmHg
Storage:
Room Temperature;Light sensitive;Keep in dry area;
Form:
Liquid
Refractive Index:
n20/D 1.476(lit.)
Solubility:
14.5g/l
Computed Properties
Molecular Weight:
138.21g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
138.104g/mol
Monoisotopic Mass:
138.104g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
187
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#:
3082
Hazard Statements:
H302+H312-H319-H335-H351
Precautionary Statements:
P280-P301+P312+P330-P302+P352+P312-P305+P351+P338
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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