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

2,5-dithiahexane
ethane, 1,2-bis(methylthio)-

Sponsors

Name:1,2-bis(methylsulfanyl)ethane
CAS Number: 6628-18-8Picture of molecule3D/inchi
FDA UNII:D37463NMIR
Nikkaji Web:J101.104I
XlogP3-AA:1.50 (est)
Molecular Weight:122.25370000
Formula:C4 H10 S2
BioActivity Summary:listing
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
JECFA Food Flavoring:1707 2,5-dithiahexane
FEMA Number:4298 2,5-dithiahexane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2,5-DITHIAHEXANE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.03900 to 1.04900 @ 25.00 °C.
Pounds per Gallon - (est).: 8.646 to 8.729
Refractive Index:1.52600 to 1.53300 @ 20.00 °C.
Boiling Point: 178.00 to 180.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.428000 mm/Hg @ 25.00 °C. (est)
Flash Point: 139.00 °F. TCC ( 59.44 °C. )
logP (o/w): 1.538 (est)
Soluble in:
 alcohol
 water, 5188 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 dairy
Odor Description:at 0.10 % in propylene glycol. sulfurous dairy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
2,5-Dithiahexane
Parchem
2,5-dithiahexane
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 2,5-dithiahexane 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: 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.020000.20000
confectionery froastings: --
egg products: 0.020000.20000
fats / oils: --
fish products: 0.020000.20000
frozen dairy: 0.020000.10000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.020000.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.020000.20000
milk products: 0.010000.10000
nut products: 0.010000.10000
other grains: --
poultry: 0.020000.20000
processed fruits: --
processed vegetables: 0.010000.10000
reconstituted vegetables: 0.010000.10000
seasonings / flavors: 10.0000050.00000
snack foods: 0.020000.10000
soft candy: --
soups: 0.020000.10000
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :23110
National Institute of Allergy and Infectious Diseases:Data
1,2-bis(methylsulfanyl)ethane
Chemidplus:0006628188
 
References:
 1,2-bis(methylsulfanyl)ethane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):23110
Pubchem (sid):134988439
Pherobase:View
 
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):HMDB31708
FooDB:FDB008371
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
2-
ethyl butyric acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
buttery
acetoin
FL/FR
butyl butyryl lactate
FL/FR
cheesy
butyric acid
FL/FR
coconut
coconut decanone methyl
FR
delta-
decalactone
FL/FR
delta-
octalactone
FL/FR
gamma-
octalactone
FL/FR
creamy
para-
vanillic acid
FL/FR
fatty
(Z)-
dairy lactone
FL/FR
4-
methyl octanoic acid
FL/FR
fruity
methyl (Z)-5-octenoate
FL/FR
green
iso
butyl methyl ketone
FL/FR
waxy
nonanoic acid
FL/FR
delta-
tetradecalactone
FL/FR
2-
tridecanone
FL/FR
For Flavor
No flavor group found for these
heptanal 2,3-butane diol acetal
FL
3-
methyl crotonic acid
FL
S-
methyl thiopropionate
FL
3-(
methyl thio) methyl thiophene
FL
acidic
acidic
2-
ethyl butyric acid
FL/FR
propionic acid
FL
aldehydic
acetyl nonyryl
FL/FR
coconut
delta-
decalactone
FL/FR
delta-
octalactone
FL/FR
creamy
acetoin
FL/FR
butyl butyryl lactate
FL/FR
para-
vanillic acid
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
fatty
(Z)-
dairy lactone
FL/FR
4-
methyl octanoic acid
FL/FR
nonanoic acid
FL/FR
2-
tridecanone
FL/FR
green
iso
butyl methyl ketone
FL/FR
lactonic
gamma-
octalactone
FL/FR
sour
butyric acid
FL/FR
waxy
delta-
tetradecalactone
FL/FR
 
Potential Uses:
FLbutter
 cheese ghee cheese
FLcream
FLcream ice cream
FLcream sour cream
FLcustard
FLdairy
FLmilk
 milk buttermilk
FLmilk malted milk
FLyogurt
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 ethane, 1,2-bis(methylthio)-
1,2-bis(methyl mercapto) ethane
1,2-bis(methyl thio) ethane
1,2-bis(methylsulfanyl)ethane
1,2-bis(methylthio)ethane
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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