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20834-59-7 | Benzeneethanol, α,α,4-trimethyl-
CAS No: 20834-59-7 Catalog No: AG002JNC MDL No:MFCD00029997
Product Description
Catalog Number:
AG002JNC
Chemical Name:
Benzeneethanol, α,α,4-trimethyl-
CAS Number:
20834-59-7
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
MDL Number:
MFCD00029997
IUPAC Name:
2-methyl-1-(4-methylphenyl)propan-2-ol
InChI:
InChI=1S/C11H16O/c1-9-4-6-10(7-5-9)8-11(2,3)12/h4-7,12H,8H2,1-3H3
InChI Key:
LABNAHQUILHURR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CC(O)(C)C
EC Number:
244-072-3
Properties
Complexity:
132
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Fragrance material review on α,α,4-trimethylphenethyl alcohol. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901 |
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