1,3-dihydroxyacetone (dimer)
(2S,5R)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
 
Notes:
Used as a food additive [EAFUS]
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(2S,5R)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol (Click)
CAS Number: 62147-49-3Picture of molecule
Nikkaji Web: J1.220.341A
Beilstein Number: 0112910
MDL: MFCD00051019
XlogP3-AA: -3.10 (est)
Molecular Weight: 180.15684000
Formula: C6 H12 O6
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
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1716  1,3-dihydroxyacetone dimer
FEMA Number: 4033  1,3-dihydroxyacetone dimer
FDA Mainterm: DIHYDROXYACETONE (DIMER)
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Physical Properties:
Appearance: white to tan powder (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 75.00 to  80.00 °C. @ 760.00 mm Hg
Boiling Point: 448.00 to  449.00 °C. @ 760.00 mm Hg
Flash Point: 436.00 °F. TCC ( 224.44 °C. )
logP (o/w): -0.951 (est)
Soluble in:
 alcohol
 water
 water, 9.582e+005 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Type: cooling
Odor Strength: medium
 sweet  cooling  
Odor Description:
at 100.00 %. 
sweet cooling
 cooling  
Taste Description:
cooling
  
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
1,4-Dioxane-2,5-dimethanol,2,5-dihydroxy-, (2R,5S)-rel-
BOC Sciences
For experimental / research use only.
2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol >96.0%(T)
Penta International
1,3-DIHYDROXYACETONE DIMER
Santa Cruz Biotechnology
For experimental / research use only.
1,3-Dihydroxyacetone (dimer)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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 LD50  > 60000 mg/kg
Laborit (1977)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 1,3-dihydroxyacetone (dimer) 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: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 2723627
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 (2S,5R)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
Chemidplus: 0062147493
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References:
 (2S,5R)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 2723627
Pubchem (sid): 135348750
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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
Metabolomics Database: Search
HMDB (The Human Metabolome Database): HMDB32222
FooDB: FDB009293
Export Tariff Code: 2914.49.5000
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: 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
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
isobornyl formateFL/FR
camphoreous
beta-homocyclocitralFL/FR
citrus
 ocimene quintoxideFL/FR
ethereal
 cyclohexyl formateFL/FR
fruity
 menthyl isovalerateFL/FR
 pineapple pentenoateFL/FR
herbal
1,4-cineoleFL/FR
 dehydroxylinalool oxideFL/FR
mentholic
laevo-mentholFL/FR
(±)-isomenthoneFL/FR
 menthyl acetate racemicFL/FR
minty
homomentholFL/FR
laevo-menthyl lactateFL/FR
(-)-isopulegolFL/FR
 WS-23FL/FR
spicy
isobutyl angelateFL/FR
 
For Flavor
 
No flavor group found for these
(±)-N,N-dimethyl menthyl succinamideFL
homomentholFL/FR
(±)-isomenthoneFL/FR
3-laevo-menthoxy-2-methyl propane-1,2-diolFL
 menthyl acetate racemicFL/FR
(-)-isopulegolFL/FR
cooling
1,4-cineoleFL/FR
beta-homocyclocitralFL/FR
laevo-mentholFL/FR
laevo-menthyl lactateFL/FR
fruity
 menthyl isovalerateFL/FR
 pineapple pentenoateFL/FR
green
isobutyl angelateFL/FR
 cyclohexyl formateFL/FR
 ocimene quintoxideFL/FR
minty
 WS-23FL/FR
woody
isobornyl formateFL/FR
 dehydroxylinalool oxideFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 chromelin (dimer)
2,5-dihydroxy-1,4-dioxane-2,5-dimethanol
2,5-dihydroxy-2,5-di(hydroxymethyl)-1,4-dioxane (dimer)
1,3-dihydroxyacetone dimer
2,5-dihydroxydioxane-2,5-dimethanol
1,4-dioxane-2,5-dimethanol, 2,5-dihydroxy-
(2S,5R)-2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
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