Identification

Namebenzyl acetone
IUPAC4-phenylbutan-2-one
CAS Number2550-26-7
EINECS219-847-4
FDA UNIIUZM5QH16YW
Molecular FormulaC10 H12 O
Molecular Weight148.20484000
MDL NumberMFCD00008790
Nikkaji NumberJ31.102B
Beilstein1907123
CoE Number11182

Regulatory

DG SANTE Food Flavourings07.194 4-phenylbutan-2-one

Physical Properties

Appearance colorless to yellow clear liquid to solid (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.98500 to 0.99100 @ 25.00 °C.
Pounds per Gallon - (est). 8.196 to 8.246
Refractive Index 1.50900 to 1.51500 @ 20.00 °C.
Melting Point -13.00 °C. @ 760.00 mm Hg
Boiling Point 233.00 to 235.00 °C. @ 760.00 mm Hg, 115.00 °C. @ 13.00 mm Hg
Vapor Pressure 0.056000 mmHg @ 25.00 °C. (est)
Flash Point 208.00 °F. TCC ( 97.78 °C. )
logP (o/w) 1.963 (est)
Soluble in alcohol

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium
Substantivity 172 hour(s) at 100.00 %
Odor Description
at 100.00 %.
Floral, jasmine-Benzyl acetate, herbal, chemical aromatic
sweet aromatic, fruity
Floral, balsamic, sweet, aromatic
FLORAL, HERBAL
Taste Description
strawberry
strawberry
strawberry
strawberry

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 [sex: M] 3200 mg/kg
Dermal Toxicityskin-rabbit LD50 > 5000 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for benzyl acetone usage levels up to2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)1600 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)3.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)2.00000
Edible ices, including sherbet and sorbet (03.0)3.00000
Processed fruit (04.1)2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)4.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)2.00000
Bakery wares (07.0)5.00000
Meat and meat products, including poultry and game (08.0)1.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)1.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)2.00000
Foodstuffs intended for particular nutritional uses (13.0)3.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)2.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)4.00000
Ready-to-eat savouries (15.0)5.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)2.00000

ACS International GmbH

Creativity Beyond Chemistry

Production • Distribution • Sourcing • Logistics • Consulting

View All Website +49 (0) 55 31 - 99 06-0 info@acsint.com

Augustus Oils Ltd

The Premier Supplier

Augustus Oils Ltd, in harmony with nature - to present it at its best...

View All Website +44 (0)1420 590555 essentials@augustus-oils.ltd.uk

Berje Inc.

Where the world comes to its senses

Where the world comes to its senses - Berjé is a global distributor of Essential Oils and Aromatic Chemicals.

View All Website 973-748-8980 tlauzurica@berjeinc.com

BOC Sciences

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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...

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Global Essence Inc.

Preferred Partner

Accommodate each customers unique needs.

View All Website 001 732 677 1100 info@globalessenceuk.com

Indukern, S.A. F&F Ingredients Division

Commitment to quality

Idukern F&F Ingredients is your partner for the fragrance and flavor ingredients.

View All Website +34 93 506 91 00 info@indukern.es

Lluch Essence S.L.

A family company dedicated to sales and distribution

Flexibility, availability, price and quality.

View All Website 34 93 379 38 49 web@lluche.com

M&U International LLC

Steady supply & demand

Meeting customers increasing demands at home as well as abroad.

View All Website 908-359-9000 sales@mu-intel.com

Moellhausen S.P.A.

THE CHEMISTRY OF EMOTIONS

Innovation and commitment in the name of excellence.

View All Website +39 039.685.6262

OQEMA

With a focus on providing the highest level of service

OQEMA has established itself at the forefront of the global chemical industry.

View All Website +1 973 886 3778 fandf@oqema.co.uk

Pell Wall Perfumes

Hand-made fragrances

Pell Wall maintains a broad palette of ingredients & in order to keep stocks fresh & the options wide we also sell from our own stock.

View All Website +44 (0) 20 3745 0887 https://pellwall.com/contact-us/

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

View All Website (973) 740-2300 lisaa@pentamfg.com

Prodasynth

PRODUCTEUR PAR ESSENCE

Chemical specialist in manufacturing, distributing and sourcing of tailor-made ingredients for the Flavour & Fragrance industry.

View All Website (33) 4 93 09 00 11 info@prodasynth.com

SRS Aromatics Ltd

For over 25 years

Bringing flavour and fragrance into your world.

View All Website +44 (0) 1284 704076 info@srsaromatics.co.uk

TCI AMERICA

Moving Your Chemistry Forward

We continuously strive to advance our technology.

View All Website 1-800-423-8616 Sales-US@TCIchemicals.com;

Ernesto Ventós S.A.

Leaders in essence

We employ our five senses to do our job well.

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Vigon International

Passion for Simplicity

Manufacturer and supplier of high quality flavor and fragrance ingredients.

View All Website 570-476-6300 sales@vigon.com

Zanos Ltd.

Distributor of Speciality Chemicals and Natural Ingredients

Sourcing and supplying quality aroma chemicals and prestige natural ingredients for the flavour and fragrance industry.

View All Website +44 (0) 1565 755899 sales@zanos.co.uk

Potential Uses

FR balsam FR blackberry FR currant FR jasmin FR raspberry FR strawberry

Natural Occurrence

agarwood oil @ 3.50% Data PMC galangal root oil @ 0.03% Data

Synonyms

benzylacetone 2- butanone, 4-phenyl- methyl 2-phenyl ethyl ketone methyl 2-phenylethyl ketone methyl phenethyl ketone methyl phenyl ethyl ketone phenethyl methyl ketone 4- phenyl butan-2-one beta- phenyl ethyl methyl ketone 4- phenyl-2-butanone 1- phenyl-3-butanone 4- phenyl-butan-2-one 4- phenylbutan-2-one PubMed: A genomic search approach to identify carbonyl reductases in Gluconobacter oxydans for enantioselective reduction of ketones. PubMed: Mutation of Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase at Trp-110 affects stereoselectivity of aromatic ketone reduction. PubMed: [GC-MS analysis of volatile oil components from Aquilariae Lignum Resinatum concreted by a new artificial method]. PubMed: Nematicidal activity of the essential oil of Rhododendron anthopogonoides aerial parts and its constituent compounds against Meloidogyne incognita. PubMed: Cornflower (Centaurea cyanus L.) honey quality parameters: chromatographic fingerprints, chemical biomarkers, antioxidant capacity and others. PubMed: Sedative effects of inhaled benzylacetone and structural features contributing to its activity. PubMed: Acetophenone reductase with extreme stability against a high concentration of organic compounds or an elevated temperature. PubMed: RNAi-mediated silencing of the HD-Zip gene HD20 in Nicotiana attenuata affects benzyl acetone emission from corollas via ABA levels and the expression of metabolic genes. PubMed: Immobilization of Escherichia coli containing ω-transaminase activity in LentiKats®. PubMed: The post-pollination ethylene burst and the continuation of floral advertisement are harbingers of non-random mate selection in Nicotiana attenuata. PubMed: Synthesis and antimalarial activity of dihydroperoxides and tetraoxanes conjugated with bis(benzyl)acetone derivatives. PubMed: Toxicity of Rhododendron anthopogonoides essential oil and its constituent compounds towards Sitophilus zeamais. PubMed: A smart palladium catalyst in ionic liquid for tandem processes. PubMed: Ionic liquid catalysed synthesis of β-hydroxy ketones. PubMed: [Synthesis and investigation on antidiabetic activity of 4-(1-aryl-3-oxo-5-phenylpentylamino) benzenesulfonamide]. PubMed: Chemical composition of volatile oils of Aquilaria malaccensis (Thymelaeaceae) from Malaysia. PubMed: A serine-type protease activity of human lens βA3-crystallin is responsible for its autodegradation. PubMed: Composition of sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compounds. PubMed: Changing pollinators as a means of escaping herbivores. PubMed: Field experiments with transformed plants reveal the sense of floral scents. PubMed: Plant science. The "invisible hand" of floral chemistry. PubMed: Comparison of the volatile composition in thyme honeys from several origins in Greece. PubMed: Total synthesis of natural product (R)-4-phenyl-2-O-[beta-D-xylopyranosyl(1-->6)-beta-D-glucopyranosyl]butane and its epimer. PubMed: A Bax/Bak-independent mechanism of cytochrome c release. PubMed: Asymmetric reduction and oxidation of aromatic ketones and alcohols using W110A secondary alcohol dehydrogenase from Thermoanaerobacter ethanolicus. PubMed: Dakin-West synthesis of beta-aryl ketones. PubMed: 4-Phenylbutan-2-one semicarbazone. PubMed: Purification and characterization of PrbA, a new esterase from Enterobacter cloacae hydrolyzing the esters of 4-hydroxybenzoic acid (parabens). PubMed: Reductive metabolism of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one, by rat liver preparations. PubMed: Reductive metabolism In vivo of trans-4-phenyl-3-buten-2-one in rats and dogs. PubMed: Synthesis and immunotropic activity of some 2-aminobenzimidazoles, Part 4. PubMed: Absorption, disposition, and metabolism of trans-methyl styryl ketone in female B6C3F1 mice. PubMed: Camptothecin-induced apoptosis in p53-null human leukemia HL60 cells and their isolated nuclei: effects of the protease inhibitors Z-VAD-fmk and dichloroisocoumarin suggest an involvement of both caspases and serine proteases. PubMed: A Plant Chloroplast Glutamyl Proteinase. PubMed: Stereoselective catalysis of a retro-Michael reaction by class mu glutathione transferases. Consequences for the internal distribution of products in the active site. PubMed: Big endothelin-converting enzyme activities in subcellular fractions of bovine aortic endothelial cells. PubMed: Inhibition of pig liver esterase by trifluoromethyl ketones: modulators of the catalytic reaction alter inhibition kinetics. PubMed: Semiochemical attractants ofDiabrotica undecimpunctata howardi barber, southern corn rootworm, andDiabrotica virgifera virgifera leconte, the western corn rootworm (Coleoptera: Chrysomelidae). PubMed: Biotransformation of terodiline I. Identification of metabolites in dog urine by mass spectrometry. PubMed: The mode of binding of potential transition-state analogs to acetylcholinesterase. PubMed: The structure and function of acid proteases. VI. Effects of acid protease-specific inhibitors on the acid proteases from Aspergillus niger var. macrosporus. PubMed: Enzymic and physicochemical properties of Streptomyces griseus trypsin. PubMed: A new method for determining the absolute molarity of solutions of trypsin and chymotrypsin by using p-nitrophenyl N2-acetyl-N1-benzylcarbazate. PubMed: Studies on the reaction of chymotrypsin and L-1-chloro-3-tosylamido-4-phenyl-2-butanone. PubMed: New Synthetic Lures for the Male Melon Fly.