Isobutyrophenone - CAS 611-70-1

Catalog:	BB030977
Product Name:	Isobutyrophenone
CAS:	611-70-1
Synonyms:	2-methyl-1-phenylpropan-1-one

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-1-phenylpropan-1-one
Description:	Isobutyrophenone (CAS# 611-70-1) is a useful research chemical compound.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	CC(C)C(=O)C1=CC=CC=C1
InChI:	InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:	BSMGLVDZZMBWQB-UHFFFAOYSA-N
Boiling Point:	217 °C
Density:	0.988 g/cm³
MDL:	MFCD00008917
LogP:	2.52530

Publication Number	Title	Priority Date
WO-2021110472-A1	Process for preparing amines over a copper catalyst	20191203
WO-2021096243-A1	Organic thin film encapsulation composition, method for manufacturing multilayer thin film encapsulation, and device using same	20191115
WO-2021085321-A1	Resin composition, resin sheet, cured film, method for manufacturing cured film, semiconductor device, organic el display device, and display device	20191029
WO-2021073393-A1	Phosphorescent host material and application thereof	20191018
WO-2021075448-A1	Resin composition, photosensitive resin composition, and cured product thereof	20191016

PMID	Publication Date	Title	Journal
18854334	20081201	PKS activities and biosynthesis of cannabinoids and flavonoids in Cannabis sativa L. plants	Plant & cell physiology
16973193	20061001	Hyperforin	Phytochemistry
16014754	20051001	Identification of molecular targets of the oligomeric nonprenylated acylphloroglucinols from Myrtus communis and their implication as anti-inflammatory compounds	The Journal of pharmacology and experimental therapeutics
15816724	20050414	Asymmetric hydrogenation of isobutyrophenone using a [(Diphosphine) RuCl2 (1,4-diamine)] catalyst	Organic letters
15652570	20050101	Biosynthesis of the hyperforin skeleton in Hypericum calycinum cell cultures	Phytochemistry

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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

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.088815002
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.088815002
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7