CAS
93814-29-0 Purity
96%
93814-29-0 Purity
96%
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1-Propanone,2,2-dimethyl-1-phenyl-
CAS
938-16-9
Catalog Number
ACM938169
Category
Other Products
Molecular Weight
162.23
Molecular Formula
C11H14O
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Specification
Synonyms
Pivalophenone, Phenyl tert-butyl ketone, 2,2-Dimethylpropiophenone, tert-Butyl Phenyl ketone, 1-Propanone, 2,2-dimethyl-1-phenyl-, 280925_ALDRICH, ZINC01845494, CID70308, 2,2-dimethyl-1-phenylpropan-1-one, EINECS 213-338-0, 2,2-Dimethyl-1-phenyl-1-propanone, BBV-5097178, AI3-11505, InChI=1/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H, 938-16-9
IUPAC Name
2,2-dimethyl-1-phenylpropan-1-one
Canonical SMILES
CC(C)(C)C(=O)C1=CC=CC=C1
InChI Key
OECPUBRNDKXFDX-UHFFFAOYSA-N
Boiling Point
108ºC(18 torr)
Flash Point
86ºC
Density
0.97
EC Number
213-338-0
Exact Mass
162.10400
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
0
Safety Description
S24/25
WGK Germany
3
What is the molecular formula of 1-Propanone,2,2-dimethyl-1-phenyl?
The molecular formula is C11H14O.
What is the molecular weight of 1-Propanone,2,2-dimethyl-1-phenyl?
The molecular weight is 162.23 g/mol.
What is the IUPAC name of 1-Propanone,2,2-dimethyl-1-phenyl?
The IUPAC name is 2,2-dimethyl-1-phenylpropan-1-one.
What is the InChI of 1-Propanone,2,2-dimethyl-1-phenyl?
The InChI is InChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3.
What is the InChIKey of 1-Propanone,2,2-dimethyl-1-phenyl?
The InChIKey is OECPUBRNDKXFDX-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Propanone,2,2-dimethyl-1-phenyl?
The canonical SMILES is CC(C)(C)C(=O)C1=CC=CC=C1.
What is the CAS number of 1-Propanone,2,2-dimethyl-1-phenyl?
The CAS number is 938-16-9.
What is the European Community (EC) number of 1-Propanone,2,2-dimethyl-1-phenyl?
The European Community (EC) number is 213-338-0.
What is the ChEMBL ID of 1-Propanone,2,2-dimethyl-1-phenyl?
The ChEMBL ID is CHEMBL479495.
Is 1-Propanone,2,2-dimethyl-1-phenyl a canonical compound?
Yes, it is a canonical compound.
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