AG000FJU

115-22-0 | 2-Butanone, 3-hydroxy-3-methyl-

AG000FJU

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CAS Number	115-22-0
Catalog Number	AG000FJU(AGN-PC-0C8WYE)
Chemical Name	2-Butanone, 3-hydroxy-3-methyl-
EC Number	204-073-1
IUPAC Name	3-hydroxy-3-methylbutan-2-one
InChI	InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
InChI Key	BNDRWEVUODOUDW-UHFFFAOYSA-N
MDL Number	MFCD00004460
Molecular Formula	C5H10O2
Molecular Weight	102.1317
NSC Number	5576
SMILES	O=C(C)C(O)(C)C
Synonyms	3-HYDROXY-3-METHYL-2-BUTANONE, 115-22-0, 3-hydroxy-3-methylbutan-2-one, 3-Methylacetoin, Methylacetoin, 2-Butanone, 3-hydroxy-3-methyl-, Dimethylacetylcarbinol, 2-Hydroxy-2-methyl-3-butanone, 2-Methyl-2-hydroxybutan-3-one, 1-Hydroxy-1-methylethyl methyl ketone, 3-hydroxy-3-methyl-butan-2-one, BNDRWEVUODOUDW-UHFFFAOYSA-N, MFCD00004460, 3-Hydroxy-3-methyl-2-butanone, 92%, 3-Hydroxy-3-ethylbutanone, NSC5576, NSC 5576, EINECS 204-073-1, Acetyldimethylcarbinol, PubChem20018, AI3-23404, AC1Q5CBA, 3-Hydroxy-3-methylbutanone, AC1L1QM2, AC1Q1JA7, ACMC-1C3I9, KSC699E5T, SCHEMBL124447, 3-methyl-3-hydroxy-2-butanone, CTK5J9259, 2-methyl-2-hydroxy-butan-3-one, ACT02809, NSC-5576, ZINC1687020, ANW-16855, LMFA12000066, AKOS009157070, AM84347, MCULE-1535627387, NE10322, RP18766, TRA0160986, AJ-29877, AN-43187, BR-51560, CJ-06388, CJ-27883, SC-68565, ST2405094, TX-016747, FT-0615814, X0229, EN300-60323, J-512630, 3-Hydroxy-3-methyl-2-butanone, 95% anhydrous basis, I14-49940, Z969563944, InChI=1/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H, C5H10O2, CID8261, AR-1F4373, C5-H10-O2, 3-HYDROXY 3-METHYL-2-BUTANONE, BUTAN-2-ONE, 3-HYDROXY 3-METHYL-, H0471, 3-Hydroxy-3-methyl-2-butanone, 97% - 25G 25g, 3-Hydroxy-3-methyl-2-butanone, technical, 90% 5g, 116834-27-6,

Complexity	84.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	102.068g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	102.133g/mol
Monoisotopic Mass	102.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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