Cas no 14007-30-8 (Phenol,4,4'-(1-methylpentylidene)bis-)
14007-30-8 structure
Product Name:Phenol,4,4'-(1-methylpentylidene)bis-
CAS No:14007-30-8
MF:C18H22O2
MW:270.366085529327
CID:146401
Update Time:2024-01-25
Phenol,4,4'-(1-methylpentylidene)bis- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4,4'-(1-methylpentylidene)bis-
- 4,4'-(1-methylpentylidene)bisphenol
- 4,4'-hexane-1,5-diyldiphenol
- 4,4'-hexane-2,2-diyldiphenol
- Phenol, 4,4'-(1-methylpentylidene)bis-
- 2,2-bis-(4-hydroxyphenyl)-hexane
-
- Inchi： 1S/C18H22O2/c1-3-4-13-18(2,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-20H,3-4,13H2,1-2H3
- InChI Key： ZQTPHEAGPRFALE-UHFFFAOYSA-N
- SMILES： C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C)CCCC
Computed Properties
- Exact Mass: 270.16206
- Monoisotopic Mass: 270.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
Experimental Properties
- Density: 1.096
- Boiling Point: 434.4°Cat760mmHg
- Flash Point: 201.2°C
- Refractive Index: 1.573
- PSA: 40.46
- pka: 10.28±0.10(Predicted)
Phenol,4,4'-(1-methylpentylidene)bis- Related Literature
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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