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

2-methyl-1,3-dithiolane
1,3-dithiolane, 2-methyl-

Supplier Sponsors

Name:2-methyl-1,3-dithiolane
CAS Number: 5616-51-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:227-038-2
FDA UNII:4O81R0SPR0
Nikkaji Web:J91.174G
MDL:MFCD01729666
XlogP3-AA:1.80 (est)
Molecular Weight:120.23776000
Formula:C4 H8 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:534 2-methyl-1,3-dithiolane
FLAVIS Number:15.034 (Old)
DG SANTE Food Flavourings:15.034 2-methyl-1,3-dithiolane
FEMA Number:3705 2-methyl-1,3-dithiolane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-METHYL-1,3-DITHIOLANE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.14700 to 1.15700 @ 20.00 °C.
Pounds per Gallon - (est).: 9.555 to 9.639
Refractive Index:1.55900 to 1.56900 @ 20.00 °C.
Boiling Point: 65.00 °C. @ 10.00 mm Hg
Vapor Pressure:1.578000 mm/Hg @ 25.00 °C. (est)
Flash Point: 111.00 °F. TCC ( 43.89 °C. )
logP (o/w): 1.090 (est)
Soluble in:
 alcohol
 fats, slightly
 water, 1600 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 alliaceous smoky savory vegetable
Odor Description:at 0.10 % in propylene glycol. sulfurous alliaceous smoky savory vegetable
Flavor Type: onion
cooked roasted onion onion cooked onion
Taste Description: cooked roasted onion
Odor and/or flavor descriptions from others (if found).
R C Treatt & Co Ltd
2-Methyl-1,3-dithiolane Halal, Kosher
Odor Description:burnt alliaceous
Taste Description:alliaceous
Used in snack foods at 3ppm; meat, cheese, and bakery products at 0.5ppm; and sauces, cereals and nut products at 0.1ppm; and in instant tea and coffee at 0.05ppm. Solubility: insoluble in water, and slightly soluble in fat.
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Methyl-1,3-dithiolane
Carbosynth
For experimental / research use only.
2-Methyl-1,3-dithiolane
Endeavour Specialty Chemicals
2-Methyl-1,3-dithiolane 97% F&F
Speciality Chemical Product Groups
Penta International
2-METHYL-1,3-DITHIOLANE, Kosher
R C Treatt & Co Ltd
2-Methyl-1,3-dithiolane
Halal, Kosher
Odor: burnt alliaceous
Flavor: alliaceous
Used in snack foods at 3ppm; meat, cheese, and bakery products at 0.5ppm; and sauces, cereals and nut products at 0.1ppm; and in instant tea and coffee at 0.05ppm. Solubility: insoluble in water, and slightly soluble in fat.
Robinson Brothers
2-Methyl-1,3-dithiolane F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-Methyl-1,3-dithiolane
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methyl-1,3-dithiolane
Taytonn
2-Methyl-1,3-dithiolane
Odor: Alliaceous, Burnt
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 37/39 - Wear suitable 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:
gavage-rabbit LD50 [sex: M,F] 1610 mg/kg
(Griffiths et al., 1979)

intraperitoneal-mouse LD50 900 mg/kg
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-methyl-1,3-dithiolane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Structure Class: II
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: 13
 average usual ppmaverage maximum ppm
baked goods: -0.50000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: -0.10000
cheese: -0.50000
chewing gum: --
condiments / relishes: -0.05000
confectionery froastings: --
egg products: -0.20000
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.10000
hard candy: --
imitation dairy: --
instant coffee / tea: -0.05000
jams / jellies: --
meat products: -0.50000
milk products: --
nut products: -0.10000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -3.00000
soft candy: --
soups: -0.10000
sugar substitutes: --
sweet sauces: --
 
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):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): 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 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

EPI System: View
EPA Substance Registry Services (TSCA):5616-51-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :21828
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2-methyl-1,3-dithiolane
Chemidplus:0005616513
 
References:
 2-methyl-1,3-dithiolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5616-51-3
Pubchem (cid):21828
Pubchem (sid):134986701
Flavornet:5616-51-3
 
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):HMDB36179
FooDB:FDB015033
YMDB (Yeast Metabolome Database):YMDB01456
Export Tariff Code:2934.99.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2-Methyl-1,3-dithiolane
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
methyl furfuryl disulfide
FL/FR
sulfurous
methyl mercaptan
FL/FR
onion oil
FL/FR
For Flavor
No flavor group found for these
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl trisulfide
FL
ethyl propyl trisulfide
FL
furfuryl propyl disulfide
FL
S-
methyl thiopropionate
FL
thiophene
FL
alliaceous
alliaceous
allyl mercaptan
FL
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
leek oil
FL
3-
mercapto-2-pentanone
FL
shallot oil
FL
truffle sulfide
FL
coffee
methyl furfuryl disulfide
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
2-
methyl 3-(methyl thio) furan
FL
onion
methyl propyl disulfide
FL
sulfurous
furfuryl methyl sulfide
FL
methyl ethyl disulfide
FL
methyl mercaptan
FL/FR
2-
methyl thiophene
FL
onion oil
FL/FR
 
Potential Uses:
FLcheese
FLcoffee
FLvegetable
 
Occurrence (nature, food, other):note
 beef cooked beef
Search PMC Picture
 
Synonyms:
1,3-dithiolane, 2-methyl-
2-methyl dithiacyclopentane
 methyl dithiolane
2-methyl-1,3 dithiolane
2-methyl-1,3-dithiacyclopentane
 
 
Notes:
Maillard product from cysteine and glucose degradation. Flavouring ingredient; present in boiled beef volatiles
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy