AG00DEDD

5455-94-7 | 2,2,5,5-Tetramethyltetrahydrofuran-3-one

AG00DEDD

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CAS Number	5455-94-7
Catalog Number	AG00DEDD(AGN-PC-0JMQ69)
Chemical Name	2,2,5,5-Tetramethyltetrahydrofuran-3-one
IUPAC Name	2,2,5,5-tetramethyloxolan-3-one
InChI	InChI=1S/C8H14O2/c1-7(2)5-6(9)8(3,4)10-7/h5H2,1-4H3
InChI Key	HWFLEGUPVIFSJN-UHFFFAOYSA-N
MDL Number	MFCD00009614
Molecular Formula	C8H14O2
Molecular Weight	142.1956
NSC Number	5593
SMILES	O=C1C(C)(C)OC(C)(C)C1
Synonyms	5455-94-7, 2,2,5,5-Tetramethyldihydrofuran-3(2H)-one, 2,2,5,5-Tetramethyltetrahydrofuran-3-One, Dihydro-2,2,5,5-tetramethyl-3(2H)-furanone, 2,2,5,5-tetramethyloxolan-3-one, 2,2,5,5-Tetramethyltetrahydro-3-ketofuran, 3(2H)-Furanone,dihydro-2,2,5,5-tetramethyl-, HWFLEGUPVIFSJN-UHFFFAOYSA-N, 3(2H)-Furanone, dihydro-2,2,5,5-tetramethyl-, NSC5593, PubChem23484, AC1L3CYV, AC1Q2CGB, SCHEMBL417429, CTK5A1658, DTXSID50202976, ZINC166099, 2,2,5,5-tetramethyl-3-oxolanone, ACT01876, NSC-5593, ANW-45195, BBL102497, GEO-01095, MFCD00009614, STL556300, AKOS005257620, AB00975, MCULE-4045399619, VZ21993, 2,2,5,5-tetramethyldihydrofuran-3-one, AJ-16468, dihydro-2,2,5,5-tetramethylfuran-3-one, DS-18478, SC-21325, ZB008583, 2,2,5,5-tetramethyl-dihydro-furan-3-one, 3-Oxo-2,2,5,5-tetramethyltetrahydrofuran, AB0025417, DB-019591, ST2403559, TC-070337, 4CH-018279, FT-0635729, W6877, 2,2,5,5-Tetramethyldihydro-3(2H)-furanone, Dihydro-2,2,5,5-tetramethyl-3(2H)furanone, 2,2,5,5-tetramethyl-dihydrofuran-3(2H)-one, dihydro-2,2,5,5-tetramethylfuran-3(2H)-one, X-3992, 2,2,5,5-Tetramethyldihydro-3(2H)-furanone #, A830244, S14-1130, W-200419, Dihydro-2,2,5,5-tetramethyl-3(2H)-furanone, 98%, C8H14O2, CID138511, A7919, 2,2,5,5-tetramethyl-tetrahydro-furan-3-one, 2,2,5,5-Tetramethyldihydrofuran-3(2H)-one, 99% - 1G 1g,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.099g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.198g/mol
Monoisotopic Mass	142.099g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 1224

Certificate of Analysis

Lot Number