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Home Other Building Blocks Benzeneethanol, α,α-dimethyl-, 1-acetate

Benzeneethanol, α,α-dimethyl-, 1-acetate

CAS No.:
151-05-3
Catalog Number:
AG001N04
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>99.0%(GC)
1 week
United States
$146
- +
Product Description
Catalog Number:
AG001N04
Chemical Name:
Benzeneethanol, α,α-dimethyl-, 1-acetate
CAS Number:
151-05-3
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00026196
IUPAC Name:
(2-methyl-1-phenylpropan-2-yl) acetate
InChI:
InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChI Key:
FLUWAIIVLCVEKF-UHFFFAOYSA-N
SMILES:
CC(=O)OC(Cc1ccccc1)(C)C
EC Number:
205-781-3
UNII:
6Y9488RL8H
NSC Number:
46123
FEMA Number:
2392
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Fragrance material review on 1,1-dimethyl-2-phenylethyl acetate. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901
Properties