methyl thiomethyl butyrate
methylthiomethyl butyrate
 
Notes:
Flavouring agent esp. for seasonings
  • DeLong Chemicals America
    • DeLong Chemicals America
      Custom Manufacturing
      Supplier of aroma chemicals, pharmaceutical and specialty chemical intermediates.
      DeLong Chemicals America, LLC is an extension of Shijiazhuang Lida Chemical Co, Ltd to North America, a leading supplier and manufacturer of aroma chemicals, serving the industries of food, tobacco and perfume, while also providing intermediates, custom synthesis and custom manufacturing for pharmaceutical and specialty chemical industries.
      US Email: Customer Service
      US Email: Sales
      US Voice: (203) 271-9017
      New products
      Product(s):
      9902 Methylthiomethyl butyrate, Kosher
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      13-70550 METHYLTHIOMETHYL BUTYRATE, Kosher
       
  • Treatt
    • Treatt PLC
      Innovative ingredient solutions
      World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
      We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products.
      Email: Enquiries
      US Email: Enquiries
      Voice: +44 (0) 1284 702500
      Fax: +44 (0) 1284 703809
      US Voice: +1 863 668 9500
      US Fax: +1 863 668 3388
      News
      Product(s):
      Methylthiomethyl butyrate NI, Kosher

      Used at 2ppm, in exotic fruit and dairy flavours. Very slightly soluble in water. Soluble in alcohols and oils.
       
       
Synonyms   Articles   Notes   Search
methylsulfanylmethyl butanoate (Click)
CAS Number: 74758-93-3Picture of molecule
ECHA EINECS - REACH Pre-Reg: 277-989-2
FDA UNII: 9PF86RKU3Z
Nikkaji Web: J349.458F
CoE Number: 12187
XlogP3-AA: 1.70 (est)
Molecular Weight: 148.22504000
Formula: C6 H12 O2 S
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: 473  methylthiomethyl butyrate
Flavis Number: 12.187 (Old)
DG SANTE Food Flavourings: 12.187  methylthiomethyl butyrate
FEMA Number: 3879  methylthiomethyl butyrate
FDA Mainterm: METHYLTHIOMETHYL BUTYRATE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.94300 to 0.94800 @  25.00 °C.
Pounds per Gallon - (est).: 7.847 to  7.888
Refractive Index: 1.45400 to 1.46400 @  20.00 °C.
Boiling Point: 182.00 to  183.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.818000 mm/Hg @ 25.00 °C. (est)
Flash Point: 155.00 °F. TCC ( 68.33 °C. )
logP (o/w): 1.885 (est)
Soluble in:
 alcohol
 oils
 water, very slightly
 water, 4534 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: sulfurous
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 sulfurous  musty  onion  fruity  tropical  metallic  vegetable  
Odor Description:
at 0.10 % in propylene glycol. 
sulfurous musty onion fruity tropical metallic vegetable
 sulfurous  musty  onion  savory  fruity  tropical  vegetable  
Odor Description:
Sulfureous, musty, onion, savory, fruity and tropical with vegetative nuances
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
 sulfurous  savory  eggy  vegetable  onion  fruity  tropical  
Taste Description:
at 2.00 ppm.  
Sulfureous, savory, eggy, vegetative and onion with fruity, tropical nuances
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
  
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Cosmetic Information:
None found
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Suppliers:
DeLong Chemicals America
Methylthiomethyl butyrate, Kosher
Penta International
METHYLTHIOMETHYL BUTYRATE, Kosher
Treatt
Methylthiomethyl butyrate
NI, Kosher
Odor: Metallic, tropical fruit
Flavor: tropical
Used at 2ppm, in exotic fruit and dairy flavours. Very slightly soluble in water. Soluble in alcohols and oils.
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 36/37/39 - Wear suitable clothing, 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for methyl thiomethyl butyrate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/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: 18
Click here to view publication 18
 average usual ppmaverage maximum ppm
baked goods: 1.0000010.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 1.000002.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.0000010.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: 0.500005.00000
reconstituted vegetables: --
seasonings / flavors: 500.00000500.00000
snack foods: --
soft candy: --
soups: 1.0000010.00000
sugar substitutes: --
sweet sauces: --
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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 ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 3018539
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 methylsulfanylmethyl butanoate
Chemidplus: 0074758933
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References:
 methylsulfanylmethyl butanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 3018539
Pubchem (sid): 135249569
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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): HMDB38299
FooDB: FDB017628
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
FAO: Methylthiomethyl butyrate
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
acidic
2-ethyl butyric acidFL/FR
alliaceous
 dibutyl sulfideFL/FR
 ferula assa-foetida gum oilFL/FR
balsamic
isopropyl cinnamateFL/FR
caramellic
 maltyl isobutyrateFL/FR
 strawberry furanone acetateFL/FR
cheesy
S-(methyl thio) butyrateFL/FR
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
ethereal
isopropyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 allyl octanoateFL/FR
floral
para-anisyl butyrateFL/FR
 benzyl isobutyrateFL/FR
 citronellyl acetateFL/FR
black currant bud concreteFL/FR
 geranyl propionateFL/FR
alpha-iononeFL/FR
beta-ocimeneFL/FR
 phenethyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rose butanoateFL/FR
 styralyl isobutyrateFL/FR
fruity
 allyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
 allyl propionateFL/FR
 amyl butyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
 berry pentadienoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isobutyrateFL/FR
 butyl valerateFL/FR
neocaspireneFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-hexenoateFL/FR
 heptyl butyrateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl nonanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl hexanoateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 terpinyl propionateFL/FR
herbal
 barosma betulina leaf oilFL/FR
 jambu oleoresinFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 viridiflorolFL/FR
nutty
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
roasted
2-methyl-1-butanolFL/FR
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 grapefruit menthaneFL/FR
 lychee mercaptan acetateFL/FR
 mango thiolFL/FR
 passiflora acetateFL/FR
S-tropical 2-thiobutyrateFL/FR
4-tropical oxathianeFL/FR
terpenic
gamma-terpineneFL/FR
tropical
cis-galbanum oxathianeFL/FR
 genet absoluteFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hotrienolFL/FR
3-nonen-4-olideFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 tropical 3-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
vegetable
1-furfuryl pyrroleFL/FR
waxy
 ethyl nonanoateFL/FR
 nonyl acetateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl 3-methyl thiopropionateFL
neocaspireneFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
 ethyl 2-(methyl thio) acetateFL
 ethyl 3-octenoateFL
 methyl 2-(methyl thio) acetateFL
S-(methyl thio) hexanoateFL
2-methyl-1-butanolFL/FR
2-methyl-2-thiazolineFL
(E)-6-methyl-3-hepten-2-oneFL/FR
3-nonen-4-olideFL/FR
1-phenethyl mercaptanFL
S-prenyl thioisobutyrateFL
S-prenyl thioisovalerateFL
isopropyl cinnamateFL/FR
 rhodinyl isobutyrateFL/FR
 sorbyl propionateFL
 styralyl isobutyrateFL/FR
S-tropical 2-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
 viridiflorolFL/FR
 allyl thiohexanoateFL
 hexyl 2-methyl-3-pentenoateFL/FR
acidic
2-ethyl butyric acidFL/FR
alliaceous
 allyl propionateFL/FR
 dipropyl trisulfideFL
 ferula assa-foetida gum oilFL/FR
2-methyl thioacetaldehydeFL
 tropical thiazoleFL/FR
caramellic
 strawberry furanone acetateFL/FR
cheesy
 methyl ketonesFL
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
cooling
 jambu oleoresinFL/FR
creamy
 triacetinFL
ethereal
4-hexen-3-oneFL
fatty
 allyl octanoateFL/FR
floral
 citronellyl acetateFL/FR
 hotrienolFL/FR
alpha-iononeFL/FR
 rhodinyl butyrateFL/FR
 tropical iononeFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
 amyl butyrateFL/FR
isoamyl propionateFL/FR
 benzyl isobutyrateFL/FR
 berry pentadienoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isobutyrateFL/FR
 butyl valerateFL/FR
black currant bud concreteFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-hexenoateFL/FR
 hexyl hexanoateFL/FR
3-mercaptohexyl hexanoateFL
 methyl 2-methyl valerateFL/FR
 passion fruit distillatesFL
isopropyl 2-methyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 rose butanoateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
4-tropical oxathianeFL/FR
 tropical trithianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
 cassis pentanoneFL/FR
 dibutyl sulfideFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
cis-galbanum oxathianeFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
beta-ocimeneFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 terpinyl propionateFL/FR
hay
 genet absoluteFL/FR
herbal
 barosma betulina leaf oilFL/FR
 buchu oil fractionsFL
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
juicy
 lychee mercaptan acetateFL/FR
meaty
3-mercapto-2-butanoneFL
 pyrazinyl ethane thiolFL
musty
para-anisyl butyrateFL/FR
S-(methyl thio) butyrateFL/FR
naphthyl
2'-hydroxyacetophenoneFL/FR
nutty
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
oily
 tetrahydrofurfuryl propionateFL
sulfurous
 buchu mercaptanFL/FR
S-ethyl thioacetateFL
 grapefruit menthaneFL/FR
 mango thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
3-methyl-2-butane thiolFL
 tropical 3-thiobutyrateFL/FR
terpenic
gamma-terpineneFL/FR
tropical
 anacardium occidentale fruit pureeFL
 heptyl butyrateFL/FR
3-mercaptohexyl acetateFL/FR
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
vegetable
1-furfuryl pyrroleFL/FR
2-octen-4-oneFL/FR
waxy
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
 nonyl acetateFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 dairyFL
 fruit tropical fruit 
 garlicFL
 mangoFL
 onionFL
 papaya 
 pineappleFL
 tropicalFL
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 butanoic acid, (methylthio)methyl ester
 methyl 2-methyl thiobutyrate
(methyl thio) methyl butyrate
((methyl thio)methyl) butyrate
(methyl thiomethyl) butyrate
(methylsulfanyl)methyl butyrate
 methylsulfanylmethyl butanoate
(methylthio)methyl butyrate
((methylthio)methyl)butyrate
(methylthio)methylbutyrate
 methylthiomethyl butyrate
(methylthiomethyl)butyrate
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