3-hydroxy-4-phenyl-2-butanone
3-hydroxy-4-phenylbutan-2-one
 
Notes:
Used as a food additive [EAFUS]
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3-hydroxy-4-phenylbutan-2-one (Click)
CAS Number: 5355-63-5Picture of molecule
FDA UNII: EP0R730B2H
Nikkaji Web: J1.532.209H
XlogP3-AA: 1.30 (est)
Molecular Weight: 164.20404000
Formula: C10 H12 O2
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: raspberry ketone 3.00% to 5.00%
EFSA/JECFA Comments: At least 93%; secondary component 3-5% 4-hydroxy-4-phenylbutan-2-one. (EFSA)
Category: flavoring agents
 
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
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 2041  3-hydroxy-4-phenylbutan-2-one
Flavis Number: 07.242 (Old)
DG SANTE Food Flavourings: 07.242  3-hydroxy-4-phenylbutan-2-one
FEMA Number: 4052  3-hydroxy-4-phenylbutan-2-one
FDA Mainterm: 3-HYDROXY-4-PHENYLBUTAN-2-ONE
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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
Boiling Point: 135.00 to  137.00 °C. @ 10.00 mm Hg
Vapor Pressure: 0.003000 mm/Hg @ 25.00 °C. (est)
Flash Point: 237.00 °F. TCC ( 113.89 °C. )
logP (o/w): 1.019 (est)
Soluble in:
 alcohol
 water, 1.509e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: creamy
Odor Strength: medium
 creamy  sweet  fruity  
Odor Description:
at 100.00 %. 
creamy sweet fruity
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
3-hydroxy-4-phenyl-2-butanone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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Safety Information:
 
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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 3-hydroxy-4-phenyl-2-butanone usage levels up to:
 not 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 Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 21
Click here to view publication 21
 average usual ppmaverage maximum ppm
baked goods: 20.0000040.00000
beverages(nonalcoholic): 10.0000020.00000
beverages(alcoholic): 10.0000020.00000
breakfast cereal: --
cheese: --
chewing gum: 50.00000100.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 15.0000030.00000
fruit ices: --
gelatins / puddings: 15.0000030.00000
granulated sugar: --
gravies: --
hard candy: 20.0000040.00000
imitation dairy: 10.0000020.00000
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 candy: 15.0000030.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6428929
National Institute of Allergy and Infectious Diseases: Data
 3-hydroxy-4-phenylbutan-2-one
Chemidplus: 0005355635
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References:
 3-hydroxy-4-phenylbutan-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6428929
Pubchem (sid): 135356008
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB32336
FooDB: FDB009609
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
FAO: 3-Hydroxy-4-phenylbutan-2-one
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Potential Blenders and core components note
 
For Odor
aldehydic
 acetyl nonyrylFL/FR
buttery
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
caramellic
2-oxobutyric acidFL/FR
 levulinic acidFL/FR
 strawberry furanone acetateFL/FR
cheesy
 butyric acidFL/FR
chemical
isobutyl formateFL/FR
coconut
delta-decalactoneFL/FR
delta-2-dodecenolactoneFL/FR
delta-nonalactoneFL/FR
gamma-octalactoneFL/FR
delta-undecalactoneFL/FR
creamy
 butyl lactateFL/FR
gamma-butyrolactoneFL/FR
 creamy lactoneFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
para-vanillic acidFL/FR
para-vanillyl alcoholFL/FR
earthy
1-nonen-3-olFL/FR
fatty
(Z)-dairy lactoneFL/FR
 ethyl undecylenateFL/FR
4-methyl octanoic acidFL/FR
fermented
 butyl laevo-lactateFL/FR
beta-iononeFL/FR
 jasmin pyranoneFL/FR
isojasmoneFL/FR
fruity
 acetoin acetateFL/FR
isoamyl decanoateFL/FR
isoamyl hexanoateFL/FR
 amyl hexanoateFL/FR
isoamyl lactateFL/FR
gamma-decalactoneFL/FR
 farnesyl acetoneFL/FR
 methyl (Z)-5-octenoateFL/FR
2-nonanoneFL/FR
isopropenyl acetateFL/FR
 propyl butyrateFL/FR
(R)-delta-undecalactoneFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
2-undecanoneFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
isobutyl benzyl carbinolFL/FR
(Z)-4-hepten-1-olFL/FR
(Z)-4-heptenalFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
herbal
delta-hexalactoneFL/FR
 marigold oil mexicoFL/FR
mushroom
3-octen-2-olFL/FR
sweet
 vanilla oleoresin baliFL/FR
 vanilla oleoresin bourbonFL/FR
tonka
6-amyl-alpha-pyroneFL/FR
 mint lactoneFL/FR
vanilla
ortho-dimethyl hydroquinoneFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
vegetable
 methionalFL/FR
waxy
 allyl nonanoateFL/FR
 ethyl laurateFL/FR
 ethyl octanoateFL/FR
 ethyl palmitateFL/FR
 methyl laurateFL/FR
2-nonanolFL/FR
 octyl isobutyrateFL/FR
delta-tetradecalactoneFL/FR
 undecanoic acidFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 allyl methyl trisulfideFL
isoamyl lactateFL/FR
6-decenoic acidFL
ortho-dimethyl hydroquinoneFL/FR
delta-2-dodecenolactoneFL/FR
 ethyl butyryl lactateFL
 farnesyl acetoneFL/FR
 heptanal 2,3-butane diol acetalFL
4-hydroxyphenethyl alcoholFL
(R)-delta-undecalactoneFL/FR
acidic
 levulinic acidFL/FR
aldehydic
 acetyl nonyrylFL/FR
amber
isobutyl benzyl carbinolFL/FR
balsamic
 vanillylidene acetoneFL/FR
brown
2-oxobutyric acidFL/FR
buttery
 butyl laevo-lactateFL/FR
 diacetylFL
delta-tetradecalactoneFL/FR
cabbage
 methyl 2-thiofuroateFL
caramellic
 strawberry furanone acetateFL/FR
cheesy
 methyl ketonesFL
2-nonanoneFL/FR
coconut
delta-decalactoneFL/FR
(R)-massoia lactoneFL
6-methyl coumarinFL
creamy
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
6-amyl-alpha-pyroneFL/FR
 butyl butyryl lactateFL/FR
 creamy lactoneFL/FR
delta-hexalactoneFL/FR
 jasmin pyranoneFL/FR
 mint lactoneFL/FR
delta-nonalactoneFL/FR
 octyl isobutyrateFL/FR
 triacetinFL
delta-undecalactoneFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
para-vanillic acidFL/FR
para-vanillyl alcoholFL/FR
dairy
 butyl lactateFL/FR
 methyl (Z)-5-octenoateFL/FR
earthy
1-nonen-3-olFL/FR
ethereal
isopropenyl acetateFL/FR
fatty
(Z)-dairy lactoneFL/FR
 ethyl undecylenateFL/FR
4-methyl octanoic acidFL/FR
2,4-octadien-1-olFL
fruity
 acetoin acetateFL/FR
 acetyl isovalerylFL
isoamyl decanoateFL/FR
isoamyl hexanoateFL/FR
 amyl hexanoateFL/FR
gamma-decalactoneFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 propyl butyrateFL/FR
green
(Z)-4-hepten-1-olFL/FR
(Z)-4-heptenalFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
isojasmoneFL/FR
herbal
 marigold oil mexicoFL/FR
lactonic
gamma-octalactoneFL/FR
milky
gamma-butyrolactoneFL/FR
mushroom
3-octen-2-olFL/FR
rummy
isobutyl formateFL/FR
sour
 butyric acidFL/FR
spicy
 benzylidene acetoneFL
sweet
 vanilla oleoresin baliFL/FR
 vanilla oleoresin bourbonFL/FR
toasted
 acetyl propionylFL/FR
tomato
 methionalFL/FR
vanilla
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl isobutyrateFL/FR
waxy
 allyl nonanoateFL/FR
 ethyl laurateFL/FR
 ethyl octanoateFL/FR
 ethyl palmitateFL/FR
 methyl laurateFL/FR
2-nonanolFL/FR
 octyl 2-furoateFL
 undecanoic acidFL/FR
2-undecanoneFL/FR
woody
beta-iononeFL/FR
 
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Potential Uses:
 creamFL
 floral 
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Occurrence (nature, food, other): note
 honey
Search  Picture
 sherry
Search  Picture
 wine red wine - up to 0.04 mg/kg
Search  Picture
 wine white wine - up to 0.04 mg/kg
Search  Picture
 wisteria floribunda
Search Trop  Picture
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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
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