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dihydroxyacetophenone (mixed isomers)

Chemical Structure

General Material Information

Preferred name dihydroxyacetophenone (mixed isomers)
Trivial Name Ethanone, 1-phenyl-, dihydroxy deriv.
Short Description 2,2-dihydroxy-1-phenylethanone
Formula C8 H8 O3
CAS Number 28631-86-9
FEMA Number 3662
Flavis Number 7.135
FDA UNII Search
Nikkaji Number J888.400E
Beilstein Number 2437741
COE Number 11884
NMR Predictor External link
JECFA Food Flavoring 729 dihydroxyacetophenone (mixed isomers)
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 28631-86-9 ; DIHYDROXYACETOPHENONE
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-
  • 2,2-dihydroxy-1-phenylethanone
  • Ethanone, 1-phenyl-, dihydroxy deriv.
  • Acetophenone, dihydroxy-

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 152.14935302734
Melting Point 90 to 92°C @ 760 mm Hg
Boiling Point 265 to 266°C @ 760 mm Hg
Vapor Pressure 0.005 mmHg @ 25 °C
Flash Point TCC Value 128.33 °C TCC
logP (o/w) 1.163 est
Solubility
alcohol Yes
water, slightly Yes
water, 6.943e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
vegetable, green, fatty, nutty, earthy, powdery
General comment At 10.00 % in dipropylene glycol. vegetable green fatty nut
Mosciano, Gerard P&F 21, No. 3, 51, (1996) Vegetative, green, fatty and nutty with earthy, powdery nuances
Flavor Type: Green
green, vegetable, fatty, nutty, mushroom, peanut
Mosciano, Gerard P&F 21, No. 3, 51, (1996) At 40.00 ppm. Green, vegetative, fatty and nutty with mushroom and peanut nuances

Potential Uses

Applications
Flavoring purposes Green, Mushroom, Nut, Peanut, Vegetable

Safety Information

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
Click here to view publication 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
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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