Cas no 93876-99-4 ((E)-1,3-bis(3-methylphenyl)but-2-en-1-one)
93876-99-4 structure
Product Name:(E)-1,3-bis(3-methylphenyl)but-2-en-1-one
CAS No:93876-99-4
MF:C18H18O
MW:250.334925174713
CID:1000265
PubChem ID:6151165
Update Time:2025-04-20
(E)-1,3-bis(3-methylphenyl)but-2-en-1-one Chemical and Physical Properties
Names and Identifiers
-
- (E)-1,3-bis(3-methylphenyl)but-2-en-1-one
- DTXSID50422112
- NSC405241
- 93876-99-4
- NSC-405241
-
- Inchi： 1S/C18H18O/c1-13-6-4-8-16(10-13)15(3)12-18(19)17-9-5-7-14(2)11-17/h4-12H,1-3H3/b15-12+
- InChI Key： XEOKHCWHQLPXCM-NTCAYCPXSA-N
- SMILES： O=C(/C=C(\C)/C1C=CC=C(C)C=1)C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 250.136
- Monoisotopic Mass: 250.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 342
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 5
Experimental Properties
- Density: 1.033
- Boiling Point: 391.5°C at 760 mmHg
- Flash Point: 169.7°C
- Refractive Index: 1.574
- PSA: 17.07000
- LogP: 4.58960
(E)-1,3-bis(3-methylphenyl)but-2-en-1-one Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Carmen Pérez León,Keisuke Sagisaka,Daisuke Fujita,Liyuan Han RSC Adv., 2014,4, 8550-8557
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
93876-99-4 ((E)-1,3-bis(3-methylphenyl)but-2-en-1-one) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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