isobutyrophenone
1-propanone, 2-methyl-1-phenyl-
Identification
| Name | isobutyrophenone |
| IUPAC | 2-methyl-1-phenylpropan-1-one |
| CAS Number | 611-70-1 |
| EINECS | 210-275-0 |
| FDA UNII | Search |
| Molecular Formula | C10 H12 O |
| Molecular Weight | 148.20484000 |
| MDL Number | MFCD00008917 |
| Nikkaji Number | J47.812A |
| Beilstein | 0774499 |
| XlogP3 | 2.70 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.98200 to 0.98600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.181 to 8.214 |
| Refractive Index | 1.51500 to 1.51900 @ 20.00 °C. |
| Melting Point | -1.30 °C. @ 760.00 mm Hg |
| Boiling Point | 220.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.110000 mmHg @ 25.00 °C. (est) |
| Flash Point | 184.00 °F. TCC ( 84.44 °C. ) |
| logP (o/w) | 2.730 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Taste Description | green |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for isobutyrophenone usage levels up to | not for fragrance use. |
| Recommendation for isobutyrophenone flavor usage levels up to | not for flavor use. |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Potential Uses
Natural Occurrence
Synonyms
iso
butyrylbenzene
2-
methyl propiophenone
2-
methyl-1-phenyl-1-propanone
2-
methyl-1-phenylpropan-1-one
2-
methylpropiophenone
phenyl isopropyl ketone
1-
propanone, 2-methyl-1-phenyl-
iso
propyl phenyl ketone
US Patents:
3,952,024 - Furfurylthioacetone
PubMed:
Time-resolved spectroscopic and density functional theory study of the photochemistry of irgacure-2959 in an aqueous solution.
US Patents:
Certain 2,5-dimethyl-3-thiopyrazines
PubMed:
Photochemical preparation of silver nanoparticles supported on zeolite crystals.
PubMed:
Evaluation of the migration of 15 photo-initiators from cardboard packaging into Tenax(®) using ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS).
PubMed:
Photoreaction of a hydroxyalkyphenone with the membrane of polymersomes: a versatile method to generate semipermeable nanoreactors.
PubMed:
PKS activities and biosynthesis of cannabinoids and flavonoids in Cannabis sativa L. plants.
PubMed:
Direct observation of f-pair magnetic field effects and time-dependence of radical pair composition using rapidly switched magnetic fields and time-resolved infrared methods.
PubMed:
Hyperforin.
PubMed:
Identification of molecular targets of the oligomeric nonprenylated acylphloroglucinols from Myrtus communis and their implication as anti-inflammatory compounds.
PubMed:
Asymmetric hydrogenation of isobutyrophenone using a [(Diphosphine) RuCl2 (1,4-diamine)] catalyst.
PubMed:
Biosynthesis of the hyperforin skeleton in Hypericum calycinum cell cultures.
PubMed:
Effect of a weak magnetic field on the reaction between neutral free radicals in isotropic solution.
PubMed:
Palladium-catalyzed reaction of 2-hydroxy-2-methylpropiophenone with aryl bromides: a unique multiple arylation via successive C-C and C-H bond cleavages.
PubMed:
Determination of procarbazine in human plasma by liquid chromatography with electrospray ionization mass spectrometry.
PubMed:
Reactions of 1,3-Dihaloadamantanes with Carbanions in DMSO: Ring-Opening Reactions to Bicyclo[3.3.1]nonane Derivatives by the S(RN)1 Mechanism.
PubMed:
On the Mechanism of the Reaction of alpha-Substituted Ketones with Allyltributylstannane.
PubMed:
Synthesis of some novel potent and selective catechol O-methyltransferase inhibitors.
PubMed:
Frequency-dependence of 3H-noradrenaline release from rabbit pulmonary artery: effect of alpha-adrenoceptor antagonists and inhibitors of transmitter inactivation.
PubMed:
Impairment of the extraneuronal O-methylating system of isoproterenol by stop-flow ischemia in the perfused rat heart.
PubMed:
Effect of isoprenaline on noradrenaline release from sympathetic neurones in rabbit isolated pulmonary artery.
PubMed:
Accumulation of 3H-(-)noradrenaline in the rabbit aorta not related to uptake1 and uptake2, but sensitive to 3,4-dihydroxy-2-methylpropiophenone (U-0521) and oxytetracycline.
PubMed:
Temperature-induced changes in dissociation constants (KA) of agonists at cardiac beta-adrenoceptors determined by use of the irreversible antagonist Ro 03-7894.
PubMed:
The antihypertensive effect of U-0521 (3',4'-dihydroxy-2-methylpropiophenone).
PubMed:
A comparison of 2-hydroxyestradiol and U-0521 (3'4'-dihydroxy-2-methylpropiophenone, Upjohn) as in situ and in vitro inhibitors of tyrosine hydroxylase.
PubMed:
Simultaneous determination of hydroxyzine hydrochloride and benzyl alcohol in injection solutions by high-performance liquid chromatography.
PubMed:
[On the metabolism of eprazinone (author's transl)].