Cas no 7597-97-9 (Phenol,2-(1,1-dimethylethyl)-4-(1-methylethyl)-)
7597-97-9 structure
Product Name:Phenol,2-(1,1-dimethylethyl)-4-(1-methylethyl)-
Phenol,2-(1,1-dimethylethyl)-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2-(1,1-dimethylethyl)-4-(1-methylethyl)-
- 2-tert-butyl-4-isopropylphenol
- 2-t-butyl-4-isopropylphenol
- 2-t-Butyl-4-isopropyl-phenol
- 4-Isopropyl-2-tert.-butyl-phenol
- AG-H-03011
- AI3-19841
- BRN 2360817
- EINECS 231-503-5
- Phenol, 2-(tert-butyl)-4-isopropyl-
- Phenol, 2-tert-butyl-4-isopropyl-
- Phenol, 2-(1,1-dimethylethyl)-4-(1-methylethyl)-
- NSC-408006
- 7597-97-9
- NSC408006
- NSC 408006
- 2-tert-butyl-4-propan-2-ylphenol
- UNII-RO22G228Y9
- MB02006
- SCHEMBL5164240
- RO22G228Y9
- 2-(1,1-DIMETHYLETHYL)-4-(1-METHYLETHYL)PHENOL
- 4-ISOPROPYL-2-TERT-BUTYLPHENOL
- WLN: 1Y1&R DQ CX1&1&1
- 2-(TERT-BUTYL)-4-ISOPROPYLPHENOL
- NS00037745
- Phenol,1-dimethylethyl)-4-(1-methylethyl)-
- DTXSID70226876
- AKOS006278724
-
- Inchi： 1S/C13H20O/c1-9(2)10-6-7-12(14)11(8-10)13(3,4)5/h6-9,14H,1-5H3
- InChI Key： KXLQULHLCDGRKG-UHFFFAOYSA-N
- SMILES： OC1=CC=C(C(C)C)C=C1C(C)(C)C
Computed Properties
- Exact Mass: 192.1515
- Monoisotopic Mass: 192.151415
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 178
- 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: 4.4
Experimental Properties
- PSA: 20.23
Phenol,2-(1,1-dimethylethyl)-4-(1-methylethyl)- Security Information
- Hazardous Material transportation number：UN 3077
- Packing Group：III
- HazardClass：9
- PackingGroup：III
Phenol,2-(1,1-dimethylethyl)-4-(1-methylethyl)- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
7597-97-9 (Phenol,2-(1,1-dimethylethyl)-4-(1-methylethyl)-) Related Products
- 120-95-6(2,4-bis(2-methylbutan-2-yl)phenol)
- 88-60-8(2-tert-butyl-5-methylphenol)
- 96-70-8(2-tert-butyl-4-ethylphenol)
- 96-76-4(2,4-Di-tert-butylphenol)
- 118-82-1(4,4'-Methylenebis(2,6-DI-tert-butylphenol))
- 119-47-1(2,2'-Methylenebis(6-tert-butyl-p-cresol))
- 128-37-0(Butylated hydroxytoluene)
- 89-83-8(Thymol)
- 79-97-0(Bisphenol C)
- 128–37–0(2,6-Di-tert-butyl-4-methylphenol)
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