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3-(methyl thio)-decanal
3-(methylthio)decanal

Supplier Sponsors

Name:3-(methylsulfanyl)decanal
CAS Number: 1256932-15-6Picture of molecule3D/inchi
FDA UNII: G7N50R9UNW
Nikkaji Web:J3.529.847I
XlogP3-AA:3.80 (est)
Molecular Weight:202.36054000
Formula:C11 H22 O S
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
Stereoisomeric composition to be specified. CASrn in Register does not specify stereoisomeric composition. Racemate (EFFA, 2012j).
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
DG SANTE Food Flavourings:12.306 3-(methylthio)-decanal
FEMA Number:4734 3-(methylthio)decanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85200 to 0.97200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.089 to 8.088
Refractive Index:1.47650 to 1.48050 @ 20.00 °C.
Boiling Point: 282.00 °C. @ 760.00 mm Hg
Flash Point: 249.00 °F. TCC ( 120.60 °C. ) (est)
logP (o/w): 4.240 (est)
Soluble in:
 alcohol
 water, 25.37 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich
3-(Methylthio)decanal, ≥90%
Certified Food Grade Products
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
Preferred SDS: View
 
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 3-(methyl thio)-decanal usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 17 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 26
Click here to view publication 26
 average usual ppmaverage maximum ppm
baked goods: 0.050000.20000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.050000.10000
confectionery froastings: --
egg products: 0.050000.10000
fats / oils: 0.050000.20000
fish products: 0.050000.10000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.050000.10000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.050000.10000
milk products: 0.050000.10000
nut products: 0.050000.10000
other grains: --
poultry: 0.050000.10000
processed fruits: --
processed vegetables: 0.050000.10000
reconstituted vegetables: --
seasonings / flavors: 0.050000.10000
snack foods: 0.050000.10000
soft candy: --
soups: 0.050000.10000
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): 0.050000.11000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.050000.20000
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 0.100000.20000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.100000.20000
Confectionery (05.0): --
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 0.100000.30000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.050000.20000
Eggs and egg products (10.0): 0.050000.10000
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.150000.30000
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): 0.050000.10000
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 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :122423559
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-(methylsulfanyl)decanal
Chemidplus:1256932156
 
References:
 3-(methylsulfanyl)decanal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):122423559
Pubchem (cas):1256932-15-6
 
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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 decanal, 3-(methylthio)-
3-(methylsulfanyl)decanal
3-(methylthio)-decanal
3-(methylthio)decanal
 
 
Notes:
None found
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