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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      Product(s):
      04-21402 1,3-DIHYDROXYACETONE DIMER
       
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      Product(s):
      D0560 1,3-Dihydroxyacetone (dimer) >96.0%(T)
       
Synonyms   Articles   Notes   Search
(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
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
 
 
Flavor Type: cooling
 
 cooling  
Taste Description:
cooling
 
Odor and/or flavor descriptions from others (if found).
 
 
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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)
TCI AMERICA
For experimental / research use only.
1,3-Dihydroxyacetone (dimer) >96.0%(T)
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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: 2932.99.9090
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
isobornyl formateFL/FR
dextro-fenchoneFL/FR
camphoreous
beta-homocyclocitralFL/FR
 fencholFL/FR
laevo-fenchoneFL/FR
citrus
 ocimene quintoxideFL/FR
earthy
(-)-alpha-fencholFL/FR
ethereal
 cyclohexyl formateFL/FR
floral
isobutyl salicylateFL/FR
 dihydrocarvyl acetateFL/FR
fruity
 cyclohexyl acetateFL/FR
 menthyl isovalerateFL/FR
 pineapple pentenoateFL/FR
 tropical trithianeFL/FR
 vanilla carboxylateFL/FR
green
 manzanate (Givaudan)FL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
1,4-cineoleFL/FR
1,8-cineoleFL/FR
 dehydroxylinalool oxideFL/FR
 geranic oxideFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 hyssop oilFL/FR
 jambu oleoresinFL/FR
spike lavender oilFL/FR
 myrtenolFL/FR
 sabinene hydrateFL/FR
 theaspiraneFL/FR
medicinal
meta-dimethyl hydroquinoneFL/FR
mentholic
 cornmint oil chinaFL/FR
 cornmint oil terpenelessFL/FR
dextro-neomentholFL/FR
dextro,laevo-mentholFL/FR
laevo-mentholFL/FR
(±)-mentholFL/FR
(±)-isomenthoneFL/FR
laevo-menthyl acetateFL/FR
 menthyl acetateFL/FR
 menthyl acetate racemicFL/FR
 peppermint cyclohexanoneFL/FR
minty
 betula lenta bark oil americaFL/FR
 cornmint oil japanFL/FR
homomentholFL/FR
(-)-menthoneFL/FR
(±)-menthoneFL/FR
homomenthyl acetateFL/FR
laevo-menthyl lactateFL/FR
 pennyroyal oil fractionsFL/FR
 peppermint absoluteFL/FR
 peppermint oil americaFL/FR
 peppermint oil idahoFL/FR
(-)-isopulegolFL/FR
isopulegolFL/FR
 spearmint oil americaFL/FR
 WS-23FL/FR
naphthyl
para-methyl anisoleFL/FR
dextro,laevo-menthone glycerine acetalFL/FR
spicy
isobutyl angelateFL/FR
4-carvomenthenolFL/FR
 myrtenalFL/FR
sulfurous
 mango thiolFL/FR
woody
 campheneFL/FR
(+)-campheneFL/FR
 
For Flavor
 
No flavor group found for these
(+)-campheneFL/FR
(±)-N,N-dimethyl menthyl succinamideFL
3-laevo-menthoxy-2-methyl propane-1,2-diolFL
 menthyl acetate racemicFL/FR
camphoreous
 campheneFL/FR
 fencholFL/FR
(-)-alpha-fencholFL/FR
laevo-fenchoneFL/FR
 geranic oxideFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
chemical
meta-dimethyl hydroquinoneFL/FR
cooling
(2S,5R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-methyl-2-(propan-2-yl)cyclohexanecarboxamideFL
isobutyl salicylateFL/FR
4-carvomenthenolFL/FR
1,4-cineoleFL/FR
beta-homocyclocitralFL/FR
dextro-fenchoneFL/FR
1-(2-hydroxy-4-methyl cyclohexyl) ethanoneFL
 jambu oleoresinFL/FR
spike lavender oilFL/FR
 manzanate (Givaudan)FL/FR
laevo-mentholFL/FR
dextro,laevo-mentholFL/FR
isomentholFL
laevo-menthone 1,2-glycerol ketalFL
dextro,laevo-menthone glycerine acetalFL/FR
homomenthyl acetateFL/FR
 menthyl acetateFL/FR
laevo-menthyl lactateFL/FR
monomenthyl succinateFL
2-(4-methylphenoxy)-N-(1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)acetamideFL
 peppermint oil americaFL/FR
N-(2-(pyridin-2-yl)ethyl)-3-para-menthane carboxamideFL
 sabinene hydrateFL/FR
 theaspiraneFL/FR
 WS-12FL
 WS-3FL
 WS-5FL
earthy
 panax quinquefolius root extractFL
floral
 dihydrocarvyl acetateFL/FR
fruity
 menthyl isovalerateFL/FR
 pineapple pentenoateFL/FR
 tropical trithianeFL/FR
 vanilla carboxylateFL/FR
green
isobutyl angelateFL/FR
 cyclohexyl formateFL/FR
 ocimene quintoxideFL/FR
isophoroneFL
3,5,5-trimethyl hexanolFL/FR
herbal
 hyssop oilFL/FR
mentholic
 cornmint oil terpenelessFL/FR
dextro-neomentholFL/FR
(±)-mentholFL/FR
 peppermint cyclohexanoneFL/FR
minty
 betula lenta bark oil americaFL/FR
1,8-cineoleFL/FR
 cornmint oil chinaFL/FR
 cornmint oil japanFL/FR
 limonene glycolFL
homomentholFL/FR
(±)-menthoneFL/FR
(-)-menthoneFL/FR
(±)-isomenthoneFL/FR
laevo-menthyl acetateFL/FR
 myrtenalFL/FR
 myrtenolFL/FR
 pennyroyal oil fractionsFL/FR
 peppermint absoluteFL/FR
 peppermint oil idahoFL/FR
(-)-isopulegolFL/FR
isopulegolFL/FR
 spearmint oil americaFL/FR
 WS-23FL/FR
naphthyl
para-methyl anisoleFL/FR
solvent
 cyclohexyl acetateFL/FR
sulfurous
 mango thiolFL/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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