2,2-Dimethylpropiophenone - CAS 938-16-9

Name: 2,2-Dimethylpropiophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041091
Product Name:	2,2-Dimethylpropiophenone
CAS:	938-16-9
Synonyms:	2,2-dimethyl-1-phenylpropan-1-one

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Computed Properties

IUPAC Name:	2,2-dimethyl-1-phenylpropan-1-one
Description:	2,2-Dimethylpropiophenone (CAS# 938-16-9) is a useful research chemical compound.
Molecular Weight:	162.23
Molecular Formula:	C11H14O
Canonical SMILES:	CC(C)(C)C(=O)C1=CC=CC=C1
InChI:	InChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:	OECPUBRNDKXFDX-UHFFFAOYSA-N
Boiling Point:	108 °C (18 torr)
Density:	0.97 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00008844
LogP:	2.91540

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
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[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22738150	20120726	Effects of alkyl groups in the rate determining step of the Baeyer-Villiger reaction of phenyl alkyl ketones: a quantum chemistry study	The journal of physical chemistry. A
18924188	20080101	Rapid ketone transfer hydrogenation by employing simple, in situ prepared iridium(I) precatalysts supported by 'non-N--H' P,N ligands	Chemistry (Weinheim an der Bergstrasse, Germany)
17407360	20070427	Regioselective alkenylation of aromatic ketones with alkenylboronates using a RuH2(CO)(PPh3)3 catalyst via carbon-hydrogen bond cleavage	The Journal of organic chemistry
17173407	20061225	New Ru complexes containing the N-tridentate bpea and phosphine ligands: consequences of meridional vs facial geometry	Inorganic chemistry
15839693	20050427	A RuH(2)(CO)(PPh(3))(3)-catalyzed regioselective arylation of aromatic ketones with arylboronates via carbon-hydrogen bond cleavage	Journal of the American Chemical Society

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.104465066
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.104465066
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3