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

methialdol
2,8-dithianon-4-en-4-carboxaldehyde

Supplier Sponsors

Name:5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
CAS Number: 59902-01-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:261-978-4
FDA UNII: 1V88P20GDW
Beilstein Number:2241044
CoE Number:11904
XlogP3-AA:1.60 (est)
Molecular Weight:190.32878000
Formula:C8 H14 O S2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:(E)-5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
CAS Number: 59902-01-1 (E)Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:1.60 (est)
Molecular Weight:190.32878000
Formula:C8 H14 O S2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:(Z)-5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
CAS Number: 59902-01-1 (Z)Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:1.60 (est)
Molecular Weight:190.32878000
Formula:C8 H14 O S2
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
Substance from FGE.225 (E)-isomer and 30–60% (Z)-isomer
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:471 2,8-dithianon-4-ene-4-carboxaldehyde
DG SANTE Food Flavourings:12.065 2,8-dithianon-4-en-4-carboxaldehyde
FEMA Number:3483 2,8-dithianon-4-en-4-carboxaldehyde
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):59902-01-1 ; 2,8-DITHIANON-4-EN-4-CARBOXALDEHYDE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.10600 to 1.10700 @ 25.00 °C.
Pounds per Gallon - (est).: 9.203 to 9.211
Refractive Index:1.55700 to 1.56700 @ 20.00 °C.
Boiling Point: 104.00 to 105.00 °C. @ 10.00 mm Hg
Boiling Point: 317.00 to 318.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000366 mmHg @ 25.00 °C. (est)
Flash Point: 277.00 °F. TCC ( 136.11 °C. )
logP (o/w): 1.761 (est)
Soluble in:
 alcohol
 water, slightly
 water, 1386 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
2-Pentenal,5-(methylthio)-2-[(methylthio)methyl]-
BOC Sciences
For experimental / research use only.
5-(Methylthio)-2-[(methylthio)methyl]pent-2-enal
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 methialdol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 280 (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: 10
Click here to view publication 10
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -0.20000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.20000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -0.20000
snack foods: --
soft candy: --
soups: -0.20000
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): 0.350001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.040000.40000
Edible ices, including sherbet and sorbet (03.0): 0.500002.00000
Processed fruit (04.1): 0.20000-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.200000.50000
Confectionery (05.0): 0.500001.00000
Chewing gum (05.3): 1.00000-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.610001.00000
Bakery wares (07.0): 0.730001.10000
Meat and meat products, including poultry and game (08.0): 0.550003.32000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.060000.10000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.150001.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.500001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.150000.50000
Ready-to-eat savouries (15.0): 0.100000.28000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.350001.00000
 
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

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 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

Scientific Opinion on Flavouring Group Evaluation 201 Revision 2 (FGE.201Rev2): 2-alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):59902-01-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6428936
National Institute of Allergy and Infectious Diseases:Data
5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
Chemidplus:0059902011
(E)-5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
(Z)-5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
 
References:
 5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:59902-01-1
Pubchem (cid):6428936
Pubchem (sid):135020407
 (E)-5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:59902-01-1
 (Z)-5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:59902-01-1
Pubchem (cid):6428936
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37815
FooDB:FDB016960
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
FAO:2,8-Dithianon-4-ene-4-carboxaldehyde
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 tomato juice
Search Trop Picture
 
Synonyms:
2,8-dithianon-4-en-4-carboxaldehyde
2,8-dithianon-4-ene-4-carboxaldehyde
5-methyl thio-2-((methyl thio)methyl) pent-2-enal
5-methyl thio-2-methyl thiomethyl pent-2-en-1-al
5-(methyl thio)-2-((methyl thio)methyl) pent-2-enal
5-(methyl thio)-2-methyl thiomethyl pent-2-en-1-al
2-methyl thiomethyl-5-methyl thiopent-2-enal
5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal
5-(methylsulfanyl)-2-[(methylsulfanyl)methyl]pent-2-enal
5-(methylthio)-2-(methylthiomethyl)-2-pentenal
5-(methylthio)-2-[(methylthio)methyl]pent-2-enal
2-pentenal, 5-(methylthio)-2-[(methylthio)methyl]-
 
 
Notes:
Flavouring ingredient and antioxidant. Present in tomato juice and hydrolysed vegetable protein
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