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5-TERT-BUTYL-2-METHYLPHENOL
CAS:
5781-02-2
MW:
164.248
MF:
C11H16O
 
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Names and ldentifier
Properties
Other Information
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
5-TERT-BUTYL-2-METHYLPHENOL
1.2 Synonyms
227-306-9; 2-Methyl-5-(2-methyl-2-propanyl)phenol; 2-Methyl-5-tert-butylphenol; 5-(1,1-Dimethylethyl)-2-methylphenol; 5-tert-Butyl-2-cresol; 5-TERT-BUTYL-2-METHYLPHENOL; 5-tert-butyl-o-cresol; MFCD02667430; o-Cresol, 5-tert-butyl-; Phenol, 5-(1,1-dimethylethyl)-2-methyl-;
1.3 CAS No.
5781-02-2
1.4 CID
79845
1.5 EINECS
227-306-9
1.6 Molecular Formula
C11H16O
1.7 Inchi
InChI=1S/C11H16O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h5-7,12H,1-4H3
1.8 InChkey
FLSBACIXSFRPLT-UHFFFAOYSA-N
1.9 Canonical Smiles
CC1=C(C=C(C=C1)C(C)(C)C)O
1.10 Isomers Smiles
CC1=C(C=C(C=C1)C(C)(C)C)O
2. Properties
2.1 Solubility
416mg/L(25 ºC)
2.2 Water Solubility
416mg/L(25 oC)
3. Computed Properties
Molecular Weight:
164.248g/mol
Molecular Formula:
C
11
H
16
O
Compound Is Canonicalized:
True
XLogP3-AA:
164.120115130
Monoisotopic Mass:
164.120115130
Complexity:
146
Rotatable Bond Count:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Topological Polar Surface Area:
20.2
Heavy Atom Count::
12
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADgSAmAAyBoAAAgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwPAPwAABAAAIAACAAAIAABAAAAAAAAAAAA==
4.Other Information
Manufacturing Info
Phenol, 5-(1,1-dimethylethyl)-2-methyl-: INACTIVE
5. Toltal 1 Suppliers
View more
Chiron AS
Tel:
Update Time:
2019/11/25
inquire
6. Realated Product Infomation
2-tert-Butyl-4-methylphenol
cas:2409-55-4
2-tert-Butyl-6-methylphenol
cas:2219-82-1
4-TERT-BUTYL-2-METHYLPHENOL
cas:98-27-1
4,6-DI-TERT-BUTYL-2-METHYLPHENOL
cas:616-55-7
2,2'-Methylenebis(6-tert-butyl-4-methylphenol)
cas:119-47-1
4,4'-METHYLENEBIS(2-TERT-BUTYL-6-METHYLPHENOL)
cas:96-65-1
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 EINECS(EC#)
1.5 Molecular Formula
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles
2. Properties
2.1 Solubility
2.2 Water Solubility
3.
Computational chemical data
4.
Other Information
5.
Toltal 1 Suppliers
6.
Realated Product Infomation
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