1-Propanone,2,2-dimethyl-1-phenyl-

CAS
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Purity
Price
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CAS
938-16-9
Size
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Purity
96%
Price
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Availability
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Quantity
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Catalog Number

ACM938169

Product Name

1-Propanone,2,2-dimethyl-1-phenyl-

Structure

Structure

CAS

938-16-9

Category

Heterocyclic Organic Compound

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

Molecular Weight

162.23

Molecular Formula

C₁₁H₁₄O

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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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