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

3-hydroxy-4-phenyl-2-butanone
3-hydroxy-4-phenylbutan-2-one

Sponsors

Name:3-hydroxy-4-phenylbutan-2-one
CAS Number: 5355-63-5Picture of molecule3D/inchi
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
 
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
 
Organoleptic Properties:
Odor Type: creamy
Odor Strength:medium
creamy sweet fruity
Odor Description:at 100.00 %. creamy sweet fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
3-hydroxy-4-phenyl-2-butanone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
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
 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
 
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
 
References:
 3-hydroxy-4-phenylbutan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6428929
Pubchem (sid):135356008
 
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
FAO:3-Hydroxy-4-phenylbutan-2-one
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
6-
decenoic acid
FL
ethyl butyryl lactate
FL
heptanal 2,3-butane diol acetal
FL
4-
hydroxyphenethyl alcohol
FL
buttery
buttery
diacetyl
FL
cabbage
methyl 2-thiofuroate
FL
cheesy
methyl ketones
FL
coconut
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
creamy
triacetin
FL
fatty
2,4-
octadien-1-ol
FL
fruity
acetyl isovaleryl
FL
spicy
benzylidene acetone
FL
waxy
octyl 2-furoate
FL
 
Potential Uses:
FLcream
 floral
 
Occurrence (nature, food, other):note
 honey
Search PMC Picture
 sherry
Search PMC 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
 
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
 
 
Notes:
Used as a food additive [EAFUS]
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