AG0008B8

10276-21-8 | 7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl-

AG0008B8

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CAS Number	10276-21-8
Catalog Number	AG0008B8(AGN-PC-0JKI0S)
Chemical Name	7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl-
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
MDL Number	MFCD00085465
Molecular Formula	C9H14O2
Molecular Weight	154.2063
NSC Number	63367
SMILES	O=C1C2OC2(C)CC(C)(C)C1
Synonyms	Isophorone oxide, 10276-21-8, 4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one, Isophorone epoxide, 7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl-, 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%, AC1L18GR, KSC492K0R, ACMC-20982w, SCHEMBL5432151, CTK3J2508, KS-00000YQC, ROTNQFPVXVZSRL-UHFFFAOYSA-N, EBD12893, NSC63367, ZX-AT024813, 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, 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, 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),

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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