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

2,5-dihydroxy-1,4-dithiane
1,4-dithiane-2,5-diol

Sponsors

Name:1,4-dithiane-2,5-diol
CAS Number: 40018-26-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:254-751-6
FDA UNII:R4F79F1JB0
Nikkaji Web:J68.173C
Beilstein Number:0104402
MDL:MFCD00006659
XlogP3-AA:0.30 (est)
Molecular Weight:152.23616000
Formula:C4 H8 O2 S2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Name:(2R,5R)-1,4-dithiane-2,5-diol
CAS Number: 40018-26-6 (RR)Picture of molecule3D/inchi
XlogP3-AA:0.30 (est)
Molecular Weight:152.23616000
Formula:C4 H8 O2 S2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Name:(2R,5S)-1,4-dithiane-2,5-diol
CAS Number: 40018-26-6 (RS)Picture of molecule3D/inchi
XlogP3-AA:0.30 (est)
Molecular Weight:152.23616000
Formula:C4 H8 O2 S2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Name:(2S,5S)-1,4-dithiane-2,5-diol
CAS Number: 40018-26-6 (SS)Picture of molecule3D/inchi
XlogP3-AA:0.30 (est)
Molecular Weight:152.23616000
Formula:C4 H8 O2 S2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Stereoisomeric composition to be specified. CASrn in Register does not specify stereoisomeric composition. Mixture of diastereoisomers (25-30 % (2S,5S + 2R/5R) and 70-75 % (2S,5R + 2R/5S)) (Flavour Industry, 2012a).
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:550 2,5-dihydroxy-1,4-dithiane
FLAVIS Number:15.134 (Old)
DG SANTE Food Flavourings:15.134 2,5-dihydroxy-1,4-dithiane
FEMA Number:3826 2,5-dihydroxy-1,4-dithiane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2,5-DIHYDROXY-1,4-DITHIANE
 
Physical Properties:
Appearance:white to pale yellow powder (est)
Assay: 97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Melting Point: 130.00 °C. @ 760.00 mm Hg
Boiling Point: 360.87 °C. @ 760.00 mm Hg (est)
Flash Point: 348.00 °F. TCC ( 175.56 °C. )
logP (o/w): 0.020 (est)
Soluble in:
 alcohol
 water, slightly
 water, 9.297e+005 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous meaty toasted bready brothy eggy tomato
Odor Description:at 0.10 % in propylene glycol. sulfury meaty toasted bread broth egg tomato
sulfurous grilled meaty pungent brothy eggy toasted bready tomato
Odor Description:at 0.10 % in ethyl alcohol. Sulfurous, grilled meaty, pungent, brothy, eggy, heavy and rich, toasted bread, tomato
Mosciano, Gerard P&F 24, No. 6, 10, (1999)
Flavor Type: metallic
metallic meaty savory chicken beefy sulfurous egg yolk
Taste Description: at 0.25 - 10.00 ppm. Metallic, meaty savory chicken and beef, sulfurous, egg-yolk like
Mosciano, Gerard P&F 24, No. 6, 10, (1999)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
2,5-Dihydroxy-1,4-dithiane
BOC Sciences
For experimental / research use only.
1,4-Dithiane-2,5-diol
Carbosynth
For experimental / research use only.
2,5-Dihydroxy-1,4-dithiane
EMD Millipore
For experimental / research use only.
2,5-Dihydroxy-1,4-dithiane
M&U International
2,5-DIHYDROXY-1,4-DITHIANE, Kosher
Penta International
2,5-DIHYDROXY-1,4-DITHIANE
Santa Cruz Biotechnology
For experimental / research use only.
1,4-Dithiane-2,5-diol
Shijiazhuang Donglian Nankai Aroma Chemicals
2,5-Dihydroxy-1,4-dithiane
Odor: 1% enthanol solution has the smell of sulfur, roast, fuller broth and egg, also with baked bread and potato
Sigma-Aldrich
2,5-Dihydroxy-1,4-dithiane, mixture of isomers, ≥97%, FG
Odor: meaty; sulfurous
Certified Food Grade Products
Synerzine
2,5-Dihydroxy-1,4-dithiane
TCI AMERICA
For experimental / research use only.
2,5-Dihydroxy-1,4-dithiane >96.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 22 - Harmful if swallowed.
R 41 - Risk of serious damage to eyes.
R 43 - May cause sensitisation by skin contact.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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 2,5-dihydroxy-1,4-dithiane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 500 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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: 18
 average usual ppmaverage maximum ppm
baked goods: 0.020007.50000
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: 0.020002.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 620.00000620.00000
snack foods: --
soft candy: --
soups: 0.020001.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 0.020007.50000
Meat and meat products, including poultry and game (08.0): 0.020002.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.020001.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 25.0000050.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
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):

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :98330
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1,4-dithiane-2,5-diol
Chemidplus:0040018266
(2R,5R)-1,4-dithiane-2,5-diol
(2R,5S)-1,4-dithiane-2,5-diol
(2S,5S)-1,4-dithiane-2,5-diol
 
References:
 1,4-dithiane-2,5-diol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):98330
Pubchem (sid):135056710
 (2R,5R)-1,4-dithiane-2,5-diol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7058083
Pubchem (sid):43647331
 (2R,5S)-1,4-dithiane-2,5-diol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7058084
Pubchem (sid):43647332
 (2S,5S)-1,4-dithiane-2,5-diol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6994326
Pubchem (sid):43596584
 
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):HMDB33670
FooDB:FDB011773
Export Tariff Code:2934.99.9000
ChemSpider:View
FAO:2,5-Dihydroxy-1,4-dithiane
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
bready
coffee furanone
FL/FR
furfural
FL/FR
buttery
3,4-
hexane dione
FL/FR
caramellic
maltol
FL/FR
shoyu furanone
FL/FR
toffee furanone
FL/FR
citrus
(E)-2-
tetradecenal
FL/FR
coconut
coconut naphthalenone
FL/FR
corn chip
popcorn pyrimidine
FL/FR
minty
dextro-
carvone
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
musty
2-
acetyl pyrrole
FL/FR
nutty
2-
acetyl-3-methyl pyrazine
FL/FR
filbert pyrazine
FL/FR
2,6-
lutidine
FL/FR
5-
methyl quinoxaline
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
spicy
caraway seed oleoresin
FL/FR
sulfurous
ethyl 2-mercaptopropionate
FL/FR
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
tonka
whiskey lactone
FL/FR
For Flavor
No flavor group found for these
(E)-
aconitic acid
FL
coconut naphthalenone
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
2-
methyl-1-butane thiol
FL
1,9-
nonane dithiol
FL
iso
propyl disulfide
FL
alliaceous
alliaceous
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
ammoniacal
pyrrolidine
FL
bready
2-
propionyl thiazole
FL
brown
furfural
FL/FR
burnt
furfuryl alcohol
FL
2-
methyl quinoxaline
FL
buttery
3,4-
hexane dione
FL/FR
caramellic
maltol
FL/FR
shoyu furanone
FL/FR
toffee furanone
FL/FR
cocoa
butyraldehyde
FL
coffee
diisoamyl thiomalate
FL
corn chip
2-
acetyl-2-thiazoline
FL
popcorn pyrimidine
FL/FR
earthy
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
2,4-
octadien-1-ol
FL
meaty
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
furfuryl 2-methyl-3-furyl disulfide
FL
(R,S)-2-
mercapto-3-butanol
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
pyrazinyl ethane thiol
FL
ortho-
thiocresol
FL
minty
dextro-
carvone
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
nutty
2-
acetyl pyrrole
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
coffee furanone
FL/FR
2,5-
diethyl-3-methyl pyrazine
FL
filbert pyrazine
FL/FR
2,6-
lutidine
FL/FR
5-
methyl quinoxaline
FL/FR
nutty thiazole
FL
onion
ethyl 2-mercaptopropionate
FL/FR
roasted
2-
acetyl pyrazine
FL/FR
furfuryl thioacetate
FL/FR
hexyl mercaptan
FL
smoky
prosopis juliflora wood extract
FL
spicy
caraway seed oleoresin
FL/FR
sulfurous
2,3-
butane dithiol
FL
butyl mercaptan
FL
fish thiol
FL/FR
furfuryl thiopropionate
FL
methyl 2-methyl-3-furyl disulfide
FL
waxy
furfuryl octanoate
FL
(E)-2-
tetradecenal
FL/FR
woody
whiskey lactone
FL/FR
 
Potential Uses:
FLchicken
FLclam
FLcoffee
FLegg
FLmustard
FLoyster
FLpork
FLshrimp
FLtomato
FLtuna
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
p-diathane-2,5-diol
2,5-dimethyl-1,4-dithiane
1,4-dithiane-2,5-diol
 
 
Notes:
has phytogrowth inhibitory and antibacterial activities. Food flavour component with meaty/toasted/sulfurous odour
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