Cas no 1323-65-5 (Phenol, dinonyl-)
Phenol, dinonyl- structure
Product Name:Phenol, dinonyl-
Phenol, dinonyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, dinonyl-
- 2,3-di(nonyl)phenol
- DINONYL PHENOL
- EINECS 215-356-4
- Phenol,dinonyl
- DINOYLPHENOL
- dinonyl-pheno
- dinonylphenol(mixedisomers)
- Dinonylphenol, isomer mixture
- DINONYLPHENOL
- 1323-65-5
- SCHEMBL105964
- NS00013601
- NSC 2431
- UNII-JGS160LJXZ
- JGS160LJXZ
-
- Inchi： 1S/C24H42O/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(25)23(22)20-16-14-12-10-8-6-4-2/h17,19,21,25H,3-16,18,20H2,1-2H3
- InChI Key： JKTAIYGNOFSMCE-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1CCCCCCCCC)CCCCCCCCC
Computed Properties
- Exact Mass: 346.32400
- Monoisotopic Mass: 346.323565959g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 25
- Rotatable Bond Count: 16
- Complexity: 275
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.8980 (rough estimate)
- Boiling Point: 441.29°C (rough estimate)
- Refractive Index: 1.6380 (estimate)
- PSA: 20.23000
- LogP: 7.97840
Phenol, dinonyl- Security Information
- Hazardous Material transportation number：UN 2430
- HazardClass：8
- PackingGroup：III
- Packing Group：III
Phenol, dinonyl- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
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
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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