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

dihydroxyacetophenone (mixed isomers)
2,2-dihydroxy-1-phenylethanone

Sponsors

Name:2,2-dihydroxy-1-phenylethanone
CAS Number: 28631-86-9Picture of molecule3D/inchi
Nikkaji Web:J888.400E
Beilstein Number:2437741
CoE Number:11884
XlogP3:0.50 (est)
Molecular Weight:152.14936000
Formula:C8 H8 O3
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated a mixture of dihydroxyacetophenones. 23-25% 2,3-isomer; 19-22% 2,4-isomer; 19-20% 2,5-isomer; 20-21% 3,4-isomer and 15-18% 3,5-isomer. (EFSA)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:729 dihydroxyacetophenone (mixed isomers)
FLAVIS Number:07.135 (Old)
DG SANTE Food Flavourings:07.135 2,2-dihydroxyacetophenone
FEMA Number:3662 dihydroxyacetophenone (mixed isomers)
FDA Mainterm: DIHYDROXYACETOPHENONE
 
Physical Properties:
Appearance:yellow crystals (est)
Assay: 96.00 to 100.00 sum of isomers
Additional Assay Information:mix of 1-(x,y-dihydroxyphenyl) ethanones
Food Chemicals Codex Listed: No
Melting Point: 90.00 to 92.00 °C. @ 760.00 mm Hg
Boiling Point: 265.00 to 266.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.005000 mm/Hg @ 25.00 °C. (est)
Flash Point: 263.00 °F. TCC ( 128.33 °C. )
logP (o/w): 1.163 (est)
Soluble in:
 alcohol
 water, slightly
 water, 6.943e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
vegetable green fatty nutty
Odor Description:at 10.00 % in dipropylene glycol. vegetable green fatty nut
vegetable green fatty nutty earthy powdery
Odor Description:Vegetative, green, fatty and nutty with earthy, powdery nuances
Mosciano, Gerard P&F 21, No. 3, 51, (1996)
Flavor Type: green
green vegetable fatty nutty mushroom peanut
Taste Description: at 40.00 ppm. Green, vegetative, fatty and nutty with mushroom and peanut nuances
Mosciano, Gerard P&F 21, No. 3, 51, (1996)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3',4'-Dihydroxyacetophenone
Parchem
dihydroxyacetophenone
Penta International
DIHYDROXYACETOPHENONE
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 dihydroxyacetophenone (mixed isomers) usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
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: 13
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.20000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :99611
National Institute of Allergy and Infectious Diseases:Data
2,2-dihydroxy-1-phenylethanone
Chemidplus:0028631869
 
References:
 2,2-dihydroxy-1-phenylethanone
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:28631-86-9
Pubchem (cid):99611
Pubchem (sid):135253470
 
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):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
iso
butyl mercaptan
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
9-
decen-2-one
FL
2,5-
diethyl-4-methyl thiazole
FL
diisopropyl sulfide
FL
dimethyl dihydrocyclopentapyrazine
FL
6,7-
dimethyl dihydrocyclopentapyrazine
FL
epoxy-2-decenal
FL
2-
ethyl-4,5-dimethyl oxazole
FL
furfuryl hexanoate
FL
(E,E)-2,4-
heptadien-1-ol
FL
hexanal butane-2,3-diol acetal
FL
2-
hexenal
FL
(E)-4-
hexenal
FL
hexyl (E)-2-hexenoate
FL
6-
methyl octanal
FL
2-
methyl thiazole
FL
4-(
methyl thio) butanol
FL
2-
methyl-5-methoxythiazole
FL
2-
methyl-6-propoxypyrazine
FL
2-iso
propyl pyridine
FL
2-
propyl pyridine
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
(±)-3-(
methyl thio) heptanal
FL
alliaceous
alliaceous
allyl thiopropionate
FL
cyclopentyl mercaptan
FL
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
coffee
difurfuryl ether
FL
2-iso
propyl pyrazine
FL
fatty
2,4-
decadienal
FL
(E,E)-2,4-
heptadienal
FL
(E,E)-2,4-
nonadienal
FL
2,4-
nonadienal
FL
(E)-2-
octenoic acid
FL
fruity
2,4-
hexadien-1-ol
FL
methyl (E)-3-nonenoate
FL
green
(E)-2-
heptenal
FL
2,4-
hexadienal
FL
2-
hexyl pyridine
FL
horseradish oil
FL
4-
methyl thiazole
FL
3-(5-
methyl-2-furyl) butanal
FL
2-
methyl-5-isopropyl pyrazine
FL
(E,E)-2,4-
octadienal
FL
2,4-
octadienal
FL
4-
penten-1-yl acetate
FL
2-
propyl pyrazine
FL
propylene glycol acetone ketal
FL
malty
yeast thiazoline
FL
meaty
3-
mercapto-3-methyl butanol
FL
musty
2-
ethoxythiazole
FL
nutty
arachis hypogaea fruit extract
FL
3,5-
diethyl-2-methyl pyrazine
FL
nutty thiazole
FL
onion
2-
methyl-1,3-dithiolane
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
spicy
jalapeno oleoresin
FL
sulfurous
furfuryl methyl sulfide
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl benzyl disulfide
FL
methyl thiomethyl butyrate
FL
potato butanone
FL
tropical
3-
mercaptohexyl butyrate
FL
vegetable
radish isothiocyanate
FL
 
Potential Uses:
FLgreen
FLmushroom
FLnut
FLnut peanut
 vegetable
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 acetophenone, 2,2-dihydroxy-
 dihydroxy 1-phenylethanone
2,2-dihydroxy-1-phenyl-ethanone
2,2-dihydroxy-1-phenylethanone
2,2-dihydroxy-1-phenylethanone (mixed isomers)
2,2-dihydroxyacetophenone
 dihydroxyphenyl ethanone (mixed isomers)
 dihydroxyphenyl methyl ketone (mixed isomers)
1-(x,y-dihydroxyphenyl) ethanones (mixed isomers)
 dioxyacetophenone (mixed isomers)
 ethanone, 2,2-dihydroxy-1-phenyl-
 
 
Notes:
None found
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