EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isobutyrophenone
1-propanone, 2-methyl-1-phenyl-

Supplier Sponsors

Name:2-methyl-1-phenylpropan-1-one
CAS Number: 611-70-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-275-0
FDA UNII: Search
Nikkaji Web:J47.812A
Beilstein Number:0774499
MDL:MFCD00008917
XlogP3:2.70 (est)
Molecular Weight:148.20484000
Formula:C10 H12 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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
 water, 360.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Flavor Type: green
green
Taste Description: green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Isobutyrophenone
Santa Cruz Biotechnology
For experimental / research use only.
isoButyrophenone
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoButyrophenone 97%
sds
TCI AMERICA
For experimental / research use only.
isoButyrophenone >98.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
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.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):611-70-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69144
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methyl-1-phenylpropan-1-one
Chemidplus:0000611701
 
References:
 2-methyl-1-phenylpropan-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):69144
Pubchem (sid):135027916
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.30.0000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
isobutyrylbenzene
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-
isopropyl phenyl ketone
 

Articles:

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)].
 
Notes:
None found
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