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10276-21-8,MFCD00085465
Catalog No.:AA00088G
10276-21-8 | Isophorone oxide
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$11.00   $8.00
- +
25g
98%
in stock  
$34.00   $24.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00088G
Chemical Name:
Isophorone oxide
CAS Number:
10276-21-8
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD00085465
IUPAC Name:
4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3
InChI Key:
ROTNQFPVXVZSRL-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2(C1O2)C
NSC Number:
63367
Properties
Computed Properties
 
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
Isophorone oxide 
10276-21-8 
AC1L18GR 
KSC492K0R 
ACMC-20982w 
SCHEMBL5432151 
CTK3J2508 
KS-00000YQC 
ROTNQFPVXVZSRL-UHFFFAOYSA-N 
EBD12893 
NSC63367 
ZX-AT024813 
4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one 
ANW-14742 
MFCD00085465 
NSC-63367 
AKOS016010510 
FCH1116460 
MCULE-3463994724 
OR24135 
2,3-Epoxy-3,5,5-trimethylcyclohexanone 
AK117055 
3,5,5-trimecthyl-2,3-epoxy cyclohexanon 
Isophorone epoxide 
AX8091959 
RT-000685 
FT-0627444 
FT-0627447 
I0805 
ST24042549 
2,3-epoxy-3,5,5-trimethylcyclohexane-1-one 
3,5,5-Trimethyl-2,3-epoxy-1-cyclohexanone 
A18028 
C-55528 
7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl- 
1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-5-one 
7-Oxabicyclo[4.1.0]heptan-2-one,4,6-trimethyl- 
S14-0772 
7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl- 
4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one # 
7-oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-(6ci,7ci,8ci,9ci) 
2,5,5-trimethylcyclohexanone 
CID25121 
Isophorone oxide, 97% - 25G 25g 
7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl- (6CI, 7CI, 8CI, 9CI) 
4,4,5a-trimethylperhydro-1-benzoxiren-2-one 
2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone 
4,4,6-TRIMETHYL-7-OXABICYCLO(4.1.0)HEPTAN-2-ONE 
7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl-, (-)- 
Isophorone oxide, 99% 
Literature
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