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

ethyl 5-(methyl thio) valerate
ethyl 5-(methylthio)valerate

Supplier Sponsors

Name:ethyl 5-methylsulfanylpentanoate
CAS Number: 233665-98-0Picture of molecule3D/inchi
FDA UNII: 09Z25OV0OM
Nikkaji Web:J1.850.660B
CoE Number:12212
XlogP3-AA:1.80 (est)
Molecular Weight:176.27892000
Formula:C8 H16 O2 S
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
Register name to be changed to Ethyl 5-(methylthio)valerate.
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:1298 ethyl 5-(methylthio)valerate
DG SANTE Food Flavourings:12.212 ethyl 5-(methylthio)valerate
FEMA Number:3978 ethyl 5-(methylthio)valerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):233665-98-0 ; ETHYL 5-(METHYLTHIO)VALERATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99300 to 1.00300 @ 20.00 °C.
Pounds per Gallon - (est).: 8.272 to 8.356
Refractive Index:1.46000 to 1.46400 @ 20.00 °C.
Boiling Point: 227.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.102000 mmHg @ 25.00 °C. (est)
Flash Point: 189.00 °F. TCC ( 87.30 °C. ) (est)
logP (o/w): 2.164 (est)
Soluble in:
 alcohol
 water, 488.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:at 0.10 % in propylene glycol. sulfurous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Pentanoic acid,5-(methylthio)-, ethyl ester
Parchem
ethyl 5-(methyl thio) valerate
Penta International
ETHYL-5-(METHYLTHIO)PENTANOATE
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 ethyl 5-(methyl thio) valerate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.001 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 348 (μg/person/day)
NOEL (No Observed Effect Level): 1.4 (mg/kg bw per 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: 20
Click here to view publication 20
 average usual ppmaverage maximum ppm
baked goods: 1.500003.00000
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): 0.500001.00000
breakfast cereal: --
cheese: --
chewing gum: 4.000008.00000
condiments / relishes: 0.400000.80000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.500001.00000
fruit ices: --
gelatins / puddings: 0.500001.00000
granulated sugar: --
gravies: 0.400000.80000
hard candy: 1.000002.00000
imitation dairy: 0.300000.60000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.500001.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.400000.80000
soft candy: 0.500001.00000
soups: --
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): 0.600002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.040001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.200001.50000
Confectionery (05.0): 0.750002.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.620001.00000
Bakery wares (07.0): 0.800002.00000
Meat and meat products, including poultry and game (08.0): 0.730001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100001.00000
Eggs and egg products (10.0): 0.080001.00000
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.450001.00000
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): 0.100002.00000
Ready-to-eat savouries (15.0): 1.100005.00000
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):

Flavouring Group Evaluation 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 1 (FGE.74Rev1): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 2 (FGE.74Rev2): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 4 (FGE.74Rev4): Consideration of aliphatic sulphides and thiols evaluated by JECFA (53rd and 61st meeting) structurally related to aliphatic and alicyclic mono-, di-, tri- and polysulphides with or without additional oxygenated functional groups from chemical group 20 evaluated by EFSA in FGE.08Rev5
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 :57509241
National Institute of Allergy and Infectious Diseases:Data
ethyl 5-methylsulfanylpentanoate
Chemidplus:0233665980
 
References:
 ethyl 5-methylsulfanylpentanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):57509241
Pubchem (sid):163642120
 
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):Search
FooDB:FDB009401
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 ethyl (5-methyl thio) pentanoate
 ethyl (5-methylthio)pentanoate
 ethyl 5-(methylsulfanyl)pentanoate
 ethyl 5-(methylthio)valerate
 ethyl 5-methylsulfanylpentanoate
 ethyl-5-(methyl thio) valerate
 ethyl-5-(methylthio)pentanoate
 ethyl-5-(methylthio)valerate
 pentanoic acid, 5-(methylthio)-, ethyl ester
 
 
Notes:
Used as a food additive [EAFUS]
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy