AG002DSJ

1896-62-4 | 3-Buten-2-one, 4-phenyl-, (3E)-

AG002DSJ

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CAS Number	1896-62-4
Catalog Number	AG002DSJ(AGN-PC-0O5ZMH)
Chemical Name	3-Buten-2-one, 4-phenyl-, (3E)-
FEMA Number	2881
IUPAC Name	(E)-4-phenylbut-3-en-2-one
InChI	InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChI Key	BWHOZHOGCMHOBV-BQYQJAHWSA-N
MDL Number	MFCD21606919
Molecular Formula	C10H10O
Molecular Weight	146.1858
NSC Number	5605
SMILES	CC(/C=C/C1=CC=CC=C1)=O
UNII	B03X40BMT5
Synonyms	4-phenyl-3-buten-2-one, 4-phenylbutenone, benzalacetone, benzylideneacetone, benzylideneacetone, (E)-isomer, benzylideneacetone, (Z)-isomer, t-PBO, trans-4-phenyl-3-buten-2-one, Benzalacetone, Benzylideneacetone, 1896-62-4, 122-57-6, Methyl styryl ketone, 4-Phenylbut-3-en-2-one, Acetocinnamone, 4-PHENYL-3-BUTEN-2-ONE, (E)-4-phenylbut-3-en-2-one, Benzylidene acetone, Benzalaceton, trans-Benzalacetone, Methyl trans-styryl ketone, trans-Benzylideneacetone, 4-Phenylbutenone, Styryl methyl ketone, (E)-4-Phenyl-3-buten-2-one, Benzilideneacetone, Benzilidene acetone, 2-Phenylvinyl methyl ketone, TPBO, trans-Benzylidenacetone, Methyl 2-phenylvinyl ketone, trans-4-Phenyl-3-buten-2-one, trans-4-Phenyl-3-butene-2-one, Methyl beta-styryl ketone, 3-Buten-2-one, 4-phenyl-, Ketone, methyl styryl, trans-4-Phenylbut-3-en-2-one, 4-Phenyl-3-butene-2-one, (3E)-4-phenylbut-3-en-2-one, Benzalaceton [German], 3-Buten-2-one, 4-phenyl-, (3E)-, (3E)-4-Phenyl-3-buten-2-one, NSC 5605, UNII-B03X40BMT5, 3-BUTEN-2-ONE, 4-PHENYL-, (E)-, Benzylidene acetone (natural), BENZ, FEMA No. 2881, CCRIS 5319, Methyl styryl acetone, fema 2881, EINECS 204-555-1, EINECS 217-587-6, 1-Buten-3-one-1-phenyl, BRN 0742046, BRN 0742047, Methyl .beta.-styryl ketone, ghl.PD_Mitscher_leg0.147, AI3-00944, AI3-52291, B03X40BMT5, CHEBI:78399, CHEBI:217301, BWHOZHOGCMHOBV-BQYQJAHWSA-N, (E)-1-Buten-3-one, 1-phenyl, (E)-4-Phenyl-but-3-en-2-one, MFCD00008779, Benzalaceton (german), 4-Phenyl-3-buten-2-one, 98+%, trans-4-Phenyl-3-buten-2-one, 99%, t-PBO, 4-Phenyl-but-3-en-2-one, BWHOZHOGCMHOBV-UHFFFAOYSA-N, benzylidenacetone, benzylideneacetone, (E)-isomer, benzylideneacetone, (Z)-isomer, (E)-Benzalacetone, AC1LCUWK, methyltrans-styrylketone, (E)-Benzylideneacetone, (e)-3-buten-2-on, (E)-Methyl Styryl Ketone, Epitope ID:120383, 1-Phenyl-1-buten-3-one, EC 204-555-1, DSSTox_CID_11626, DSSTox_RID_78888, DSSTox_GSID_31626, Methyl beta -STYRYL ketone, SCHEMBL76632, 2-07-00-00287 (Beilstein Handbook Reference), 4-07-00-01003 (Beilstein Handbook Reference), E-4-phenyl-3-buten-2-one, MLS002454416, CHEMBL73639, SCHEMBL312972, WLN: 1V1U1R, trans-Phenylvinyl Methyl Ketone, Jsp003898, DTXSID1031626, trans-1-Phenylbut-1-en-3-one, 4-Phenyl-(E)-3-Buten-2-one, Benzylideneacetone, >=98%, FG, NSC5605, trans-4-phenyl-but-3-en-2-one, Benzalacetone, analytical standard, Warfarin Impurity (Benzalacetone), HMS2268K18, 4-Phenyl-3-buten-2-one, 99%, 937-53-1, Methyl (E)-2-Phenylethenyl Ketone, NSC-5605, Tox21_301598, BBL012455, LS-666, LS-958, STK803195, ZINC19230125, AKOS000119902, CS-W013311, DS-4780, MP-2122, RL01029, RP21073, RTC-069523, NCGC00091356-01, NCGC00091356-02, NCGC00255323-01, AJ-72632, AN-22878, AN-50066, CJ-16027, SMR001252234, CAS-1896-62-4, trans-4-Phenyl-3-buten-2-one, >=99%, AB1011458, DB-003136, ST2411593, TC-069523, TC-172858, FT-0083233, P0163, (3E)-4-Phenylbut-3-en-2-one (Benzalacetone), A804921, A813340, I01-5963, W-107746, W-109036, 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE, Benzalacetone; Benzylideneacetone; Methyl styryl ketone, I01-10159, 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE, F0001-0357, METHYL STYRYL KETONE (SEE ALSO METHYL STYRYL KETONE (1896-62-4)), InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7, METHYL TRANS-STYRYL KETONE (SEE ALSO METHYL STYRYL KETONE (122-57-6)), Benzylidne, Butenone, benzyliden acetone, Warfarin EP Impurity C, 3-buten-2-ona, 4-fenil-, C10H10O, C10-H10-O, CID637759, BUT-3-EN-2-ONE, 4-PHENYL-, CB10061, CS-O-14085, 4-Phenyl-3-buten-2-one, 99% - 25G 25g, C025383, 4-Phenyl-3-Buten-2-One 98% for synthesis 500gm, 4-PHENYL-3-BUTENE-2-ONE, BENZYLIDENEACETONE, trans-4-Phenyl-3-buten-2-one, 99% - 100G 100g,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	146.073g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.189g/mol
Monoisotopic Mass	146.073g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H317-H319-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number