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

dihydroxyacetone (monomer)
1,3-dihydroxypropan-2-one

Sponsors

Name:1,3-dihydroxypropan-2-one
CAS Number: 96-26-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-494-5
FDA UNII:O10DDW6JOO
Nikkaji Web:J4.719H
Beilstein Number:1740268
XlogP3-AA:-1.40 (est)
Molecular Weight:90.07842000
Formula:C3 H6 O3
NMR Predictor:Predict (works with chrome or firefox)
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
FEMA Number:4033 dihydroxyacetone (monomer)
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: DIHYDROXYACETONE (MONOMER)
 
Physical Properties:
Appearance:white to tan powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 88.00 to 90.00 °C. @ 760.00 mm Hg
Boiling Point: 212.00 to 214.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.021000 mm/Hg @ 25.00 °C.
Flash Point: 207.00 °F. TCC ( 97.22 °C. )
logP (o/w): -0.779 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 5.032e+005 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: minty
Odor Strength:medium
minty
Odor Description:at 100.00 %. minty
Flavor Type: cooling
sweet cooling
Taste Description: sweet cooling
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: reducing agents
skin conditioning
tanning agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Dihydroxyacetone 98%
Carbosynth
For experimental / research use only.
1,3-Dihydroxyacetone
Charkit Chemical
DIHYDROXY ACETONE CRYSTAL
EMD Millipore
For experimental / research use only.
Dihydroxyacetone
Inoue Perfumery
1,3-DIHYDROXY ACETONE
Jiangyin Healthway
1,3 -Dihydroxyacetone
New functional food ingredients
Jiangyin Healthway
Dihydroxyacetone
M.C.Biotec
Dihydroxyacetone
Odor: characteristic
Use: The best self tanning agent for gaining a natural tan-like appearance without sun exposure
Parchem
dihydroxyacetone (monomer)
Penta International
1,3-DIHYDROXYACETONE
Santa Cruz Biotechnology
For experimental / research use only.
1,3-Dihydroxyacetone
Spec-Chem Industry
Tanbest TM DHA(Dihydroxyactone DHA)
 
Safety Information:
Preferred SDS: View
 
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:
oral-rat LDLo 80000 mg/kg
United States Patent Document. Vol. #4049795

intraperitoneal-rat LD50 8750 mg/kg
United States Patent Document. Vol. #4049795

intraperitoneal-rabbit LD > 8000 mg/kg
United States Patent Document. Vol. #4049795

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for dihydroxyacetone (monomer) usage levels up to:
 not for fragrance use.
 
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: 50.00000200.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 120.00000600.00000
cheese: --
chewing gum: --
condiments / relishes: 300.000001200.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 80.00000320.00000
fruit ices: --
gelatins / puddings: 40.00000240.00000
granulated sugar: --
gravies: 80.00000240.00000
hard candy: 300.000001200.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 20.00000200.00000
milk products: 40.00000200.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: 80.00000240.00000
reconstituted vegetables: --
seasonings / flavors: 400.000002400.00000
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):96-26-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :670
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
1,3-dihydroxypropan-2-one
Chemidplus:0000096264
 
References:
 1,3-dihydroxypropan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:96-26-4
Pubchem (cid):670
Pubchem (sid):134972376
 
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
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
KEGG (GenomeNet):C00184
HMDB (The Human Metabolome Database):HMDB01882
FooDB:FDB009294
YMDB (Yeast Metabolome Database):YMDB00018
Haz-Map:View
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 reducing agents
 skin conditioning
 tanning agents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetone, dihydroxy-
 chromelin
 chromelin (monomer)
 dihydroxy acetone
1,3-dihydroxy acetone
1,3-dihydroxy propan-2-one
2,5-(2R,5S)dihydroxy-1,4-dioxane-2,5-dimethanol (monomer)
trans-2,5-dihydroxy-1,4-dioxane-2,5-dimethanol (monomer)
1,3-dihydroxy-2-propanone
1,3-dihydroxy-2-propanone (monomer)
1,3-dihydroxyaceton
1,3-dihydroxyacetone
a,a'-dihydroxyacetone
1,3-dihydroxyacetone (monomer)
alpha,alpha-dihydroxyacetone (monomer)
1,3-dihydroxydimethyl ketone
1,3-dihydroxypropan-2-one
1,3-dihydroxypropanone
 dihyxal
 glycerone
(bis)hydroxymethyl ketone (monomer)
bis(hydroxymethyl) ketone
 ketochromin
 magic tan
 man-tan
 oxantin
 oxatone
1,3-propanediol-2-one
2-propanone, 1,3-dihydroxy-
 protosol
 quick tan
 soleal
 tan tone
 tanorama
 tirulose
 triulose
 viticolor
 

Articles:

PubMed:Reflections on the catalytic power of a TIM-barrel.
PubMed:Poly(carbonate-ester)s of dihydroxyacetone and lactic acid as potential biomaterials.
PubMed:Structural and biochemical characterization of a recombinant triosephosphate isomerase from Rhipicephalus (Boophilus) microplus.
PubMed:Dihydroxyacetone (DHA) monomer complexes with CaBr2 and CdCl2.
PubMed:Active site of Zn(2+)-dependent sn-glycerol-1-phosphate dehydrogenase from Aeropyrum pernix K1.
PubMed:Metabolic fluxes in Corynebacterium glutamicum during lysine production with sucrose as carbon source.
PubMed:Crystal structures of dihydroxyacetone and its derivatives.
PubMed:Chemical modification of specific active site amino acid residues of Enterobacter aerogenes glycerol dehydrogenase.
PubMed:Purification and characterization of 2,5-diketo-D-gluconate reductase from Corynebacterium sp.
PubMed:Fluoride ion as an NMR relaxation probe of galactose oxidase-substrate binding.
PubMed:Lactose and D-galactose metabolism in Staphylococcus aureus. IV. Isolation and properties of a class I D-ketohexose-1,6-diphosphate aldolase that catalyzes the cleavage of D-tagatose 1,6-diphosphate.
PubMed:Purification and characterisation of an unusually heat-stable and acid/base-stable class I fructose-1,6-bisphosphate aldolase from Staphylococcus aureus.
PubMed:Chemical and functional properties of the native and reconstituted forms of the membrane-bound, aerobic glycerol-3-phosphate dehydrogenase of Escherichia coli.
 
Notes:
a ketotriose compound. its addition to blood preservation solutions results in better maintenance of 2,3-diphosphoglycerate levels during storage. it is readily phosphorylated to dihydroxyacetone phosphate by triokinase in erythrocytes. in combination with naphthoquinones it acts as a sunscreening agent. Prod. by microorganisms, e.g. Corynebacterium diphtheriae (CCD) Dihydroxyacetone or DHA, also known as glycerone, is a triose with formula C3H6O3. DHA is primarily used as an ingredient in sunless tanning products. It is often derived from plant sources such as sugar beets and sugar cane, and by the fermentation of glycerin. (Wikipedia)
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