Cas no 646516-94-1 (Phenol, dimethyloctyl-)
Phenol, dimethyloctyl- structure
Product Name:Phenol, dimethyloctyl-
CAS No:646516-94-1
MF:C16H26O
MW:234.377045154572
CID:419956
PubChem ID:54214619
Update Time:2025-04-19
Phenol, dimethyloctyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, dimethyloctyl-
- 3,4-dimethyl-2-octylphenol
- DTXSID40709808
- SCHEMBL982790
- dimethyloctylphenol
- PYHDEONFTUSSGZ-UHFFFAOYSA-N
- 646516-94-1
-
- Inchi： 1S/C16H26O/c1-4-5-6-7-8-9-10-15-14(3)13(2)11-12-16(15)17/h11-12,17H,4-10H2,1-3H3
- InChI Key： PYHDEONFTUSSGZ-UHFFFAOYSA-N
- SMILES： OC1=CC=C(C)C(C)=C1CCCCCCCC
Computed Properties
- Exact Mass: 234.19848
- Monoisotopic Mass: 234.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 190
- 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: 6.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, dimethyloctyl- Related Literature
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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