AG003ELL

93-91-4 | 1-Phenylbutane-1,3-dione

AG003ELL

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CAS Number	93-91-4
Catalog Number	AG003ELL(AGN-PC-0JK7YB)
Chemical Name	1-Phenylbutane-1,3-dione
EC Number	202-286-4
IUPAC Name	1-phenylbutane-1,3-dione
InChI	InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key	CVBUKMMMRLOKQR-UHFFFAOYSA-N
MDL Number	MFCD00008786
Molecular Formula	C10H10O2
Molecular Weight	162.1852
SMILES	C(=O)(CC(=O)C)c1ccccc1
UNII	I3RUV8U115
Synonyms	1-phenyl-1,3-butanedione, benzoylacetone, Benzoylacetone, 1-Phenylbutane-1,3-dione, 93-91-4, 1-PHENYL-1,3-BUTANEDIONE, 1-Benzoylacetone, 1,3-Butanedione, 1-phenyl-, 1-Benzoyl-2-propanone, Acetoacetophenone, 2-Propanone, benzoyl-, Acetylbenzoylmethane, 2-Acetylacetophenone, Benzoyl-aceton, alpha-Acetylacetophenone, Benzoyl-aceton [German], .alpha.-Acetylacetophenone, NSC 4015, UNII-I3RUV8U115, EINECS 202-286-4, MFCD00008786, BRN 0742413, 1-phenyl-butane-1,3-dione, AI3-10572, I3RUV8U115, CVBUKMMMRLOKQR-UHFFFAOYSA-N, 1-Benzoylacetone, 98%, 1-phenyl-1,3-butandione, 1-Phenyl-1,3-butanedion, benzoyl acetone, acetyl acetophenone, 1-phenyl-3-butanedione, DSSTox_CID_1803, ACMC-209ro2, 3-butanedione,1-phenyl-1, AC1L1O5P, AC1Q1K1U, DSSTox_RID_76337, omega-ACETYLACETOPHENONE, 1-phenyl-butane-1,3 dione, DSSTox_GSID_21803, SCHEMBL15116, 4-07-00-02151 (Beilstein Handbook Reference), AC1Q5F12, CHEMBL3186793, DTXSID3021803, NSC4015, 1-Phenyl-1,3-butanedione, 99%, ACT07622, NSC-4015, STR01075, Tox21_202879, ANW-40128, BBL011014, NSC100655, SBB040798, STK802149, AKOS000119529, ZINC100006468, CS-W014323, MCULE-5543155182, NE10611, NSC-100655, PS-3611, RTR-030564, TRA0002644, CAS-93-91-4, KS-00000C21, NCGC00260425-01, AN-42671, LS-45895, SC-23803, ST092313, AB1003648, DB-010994, TR-030564, FT-0622746, ST24038177, X6797, B-0690, I01-6186, J-802021, 1-Phenyl-1,3-butanedione, purum, >=98.0% (GC), F3098-2657, InChI=1/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H, -acetylacetophenone, 1, 1-phenyl-, Benzoylacetone, 98% 50g, C10H10O2, CID7166, 2,6-Dimethylphenyl isothiocyanate, AR-1C5172, ACN-051923, C10-H10-O2, CID5387100, P0160, 1-Phenyl-1,3-butanedione, 98% - 1KG 1kg, 1,3-BUTANEDIONE,1-PHENYL BENZOYLACETONE, C035851, 2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE, 53365-80-3, 99585-88-3,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.188g/mol
Monoisotopic Mass	162.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number