1-Phenyl-2-butanone - CAS 1007-32-5

Catalog:	BB000316
Product Name:	1-Phenyl-2-butanone
CAS:	1007-32-5
Synonyms:	1-phenylbutan-2-one

Technical Data

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Computed Properties

IUPAC Name:	1-phenylbutan-2-one
Description:	1-Phenyl-2-butanone (CAS# 1007-32-5) is a building block that has been shown to have sedative activities in mice.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	CCC(=O)CC1=CC=CC=C1
InChI:	InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:	GKDLTXYXODKDEA-UHFFFAOYSA-N
Boiling Point:	228.1 °C at 760 mmHg
Purity:	95 %
Density:	0.988 g/cm³
Appearance:	Liquid
Storage:	2-8 °C
MDL:	MFCD00009315
LogP:	2.20820

Publication Number	Title	Priority Date
CN-113504333-A	Method for detecting organic matter migration amount in paper packaging material	20210820
CN-113361610-A	Intelligent identification method and system for wine production place	20210610
CN-113341018-A	Method for measuring migration amount of 10 volatile and semi-volatile compounds in packaging printing paper to MPPO (maximum power point tracking)	20210608
CN-113354769-A	Plant oil-based hydrophilic polymer aqueous dispersion and preparation method and application thereof	20210607
CN-113421620-A	Based on UPLC-Q-TOF/MSEMethod for fuzzy recognition of bioactive components with different effects of traditional Chinese medicine by BP neural network correlation analysis of integration effect	20210517

PMID	Publication Date	Title	Journal
21802408	20110819	Characterization of raspberry ketone/zingerone synthase, catalyzing the alpha, beta-hydrogenation of phenylbutenones in raspberry fruits	Biochemical and biophysical research communications
20664864	20101007	The role of aromatic interactions in the structure and energetics of benzyl ketones	Physical chemistry chemical physics : PCCP
20621150	20101001	Chemical compositions, antifungal and antioxidant activities of essential oil and various extracts of Melodorum fruticosum L. flowers	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
20809146	20100901	Defensive secretions in three species of polydesmids (Diplopoda, Polydesmida, Polydesmidae)	Journal of chemical ecology
21578325	20091017	(E)-1-Phenyl-butan-2-one (2,4-dinitro-phen-yl)hydrazone	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	123
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:	3
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9