3-hydroxy-4-phenyl-2-butanone

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3-hydroxy-4-phenylbutan-2-one

CAS: 5355-63-5 C10 H12 O2 MW: 164.20404000 creamy

Identification

Name3-hydroxy-4-phenyl-2-butanone
IUPAC3-hydroxy-4-phenylbutan-2-one
CAS Number5355-63-5
FDA UNIIEP0R730B2H
Molecular FormulaC10 H12 O2
Molecular Weight164.20404000
Nikkaji NumberJ1.532.209H

Regulatory

JECFA Food Flavoring2041 3-hydroxy-4-phenylbutan-2-one
DG SANTE Food Flavourings07.242 3-hydroxy-4-phenylbutan-2-one
FEMA Number4052
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)5355-63-5 ; 3-HYDROXY-4-PHENYLBUTAN-2-ONE

Physical Properties

Appearance pale yellow to yellow clear liquid (est)
Assay 93.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.08000 to 1.08600 @ 25.00 °C.
Pounds per Gallon - (est). 8.987 to 9.037
Refractive Index 1.52600 to 1.53200 @ 20.00 °C.
Boiling Point 273.00 to 274.00 °C. @ 760.00 mm Hg, 135.00 to 137.00 °C. @ 10.00 mm Hg
Vapor Pressure 0.003000 mmHg @ 25.00 °C. (est)
Flash Point 237.00 °F. TCC ( 113.89 °C. )
logP (o/w) 1.019 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

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

Safety in Use

Categoryflavoring agents
Recommendation for 3-hydroxy-4-phenyl-2-butanone usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.016 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)1600 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods20.00000
beverages(nonalcoholic)10.00000
beverages(alcoholic)10.00000
breakfast cereal-
cheese-
chewing gum50.00000
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy15.00000
fruit ices-
gelatins / puddings15.00000
granulated sugar-
gravies-
hard candy20.00000
imitation dairy10.00000
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy15.00000
soups-
sugar substitutes-
sweet sauces-
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

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Potential Uses

FL cream FR floral

Natural Occurrence

honey PMC sherry PMC wine red wine - up to 0.04 mg/kg wine white wine - up to 0.04 mg/kg wisteria floribunda

Synonyms

butan-2-one, 3-hydroxy-4-phenyl- butan-2-one, 4-phenyl-3-hydroxy- 2- butanone, 3-hydroxy-4-phenyl- 3- hydroxy-4-phenyl butan-2-one 3- hydroxy-4-phenylbutan-2-one Try the PubMed Search.