Cas no 26967-68-0 (Phenol, dibutyl-)
Phenol, dibutyl- structure
Product Name:Phenol, dibutyl-
CAS No:26967-68-0
MF:C14H22O
MW:206.323884487152
CID:282914
PubChem ID:3015343
Update Time:2025-04-19
Phenol, dibutyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, dibutyl-
- 2,3-dibutylphenol
- 138151-64-1
- Phenol, 2,3-dibutyl-
- SCHEMBL162389
- EINECS 248-146-6
- UNII-77MU0P1N8F
- NS00021970
- DTXSID20181466
- Dibutylphenol
- 26967-68-0
- 77MU0P1N8F
-
- Inchi: 1S/C14H22O/c1-3-5-8-12-9-7-11-14(15)13(12)10-6-4-2/h7,9,11,15H,3-6,8,10H2,1-2H3
- InChI Key: NSENZNPLAVRFMJ-UHFFFAOYSA-N
- SMILES: OC1=CC=CC(CCCC)=C1CCCC
Computed Properties
- Exact Mass: 206.16716
- Monoisotopic Mass: 206.167065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 155
- 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
- Topological Polar Surface Area: 20.2
- XLogP3: 5.3
Experimental Properties
- Density: 0.939
- Boiling Point: 305°Cat760mmHg
- Flash Point: 141.8°C
- Refractive Index: 1.511
- PSA: 20.23
Phenol, dibutyl- Related Literature
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Anil Wali,Jagannath Das,S. Muthukumaru Pillai,M. Ravindranathan Green Chem. 2002 4 587
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Luke E. Turner,Matthew G. Thorn,R. D. Swartz II,Robert W. Chesnut,Phillip E. Fanwick,Ian P. Rothwell Dalton Trans. 2003 4580
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Vera S. I. Sprakel,Martin C. Feiters,Wolfram Meyer-Klaucke,Marten Klopstra,Jelle Brinksma,Ben L. Feringa,Kenneth D. Karlin,Roeland J. M. Nolte Dalton Trans. 2005 3522
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4. Dinuclear and mononuclear manganese(iv)-radical complexes and their catalytic catecholase activitySoumen Mukherjee,Thomas Weyhermüller,Eberhard Bothe,Karl Wieghardt,Phalguni Chaudhuri Dalton Trans. 2004 3842
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Toshitada Yoshihara,Minoru Yamaji,Takao Itoh,Haruo Shizuka,Takuji Shimokage,Shozo Tero-Kubota Phys. Chem. Chem. Phys. 2000 2 993
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