sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2-(tert-Butyl)-6-methylphenol

2-(tert-Butyl)-6-methylphenol

CAS No.:
2219-82-1
Catalog Number:
AG0033FW
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>99.0%(GC)
1 week
United States
$85
- +
500g
>99.0%(GC)
1 week
United States
$280
- +
Product Description
Catalog Number:
AG0033FW
Chemical Name:
2-(tert-Butyl)-6-methylphenol
CAS Number:
2219-82-1
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
MDL Number:
MFCD00002239
IUPAC Name:
2-tert-butyl-6-methylphenol
InChI:
InChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3
InChI Key:
BKZXZGWHTRCFPX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1O)C(C)(C)C
EC Number:
218-734-7
UNII:
LT9E3VZD1C
NSC Number:
78461
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Formation of the N-methylpyridinium ether derivative of propofol to improve sensitivity, specificity and reproducibility of its detection in blood by liquid chromatography-mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20091201
Estrogenic activities of chemicals related to food contact plastics and rubbers tested by the yeast two-hybrid assay. Food additives and contaminants 20060401
Glucuronidation of propofol and its analogs by human and rat liver microsomes. Biological & pharmaceutical bulletin 20030201
4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor. Journal of medicinal chemistry 20020718
Properties