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

methyl thio isovalerate
S-methyl 3-methylbutanethioate

Supplier Sponsors

Name:S-methyl 3-methylbutanethioate
CAS Number: 23747-45-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:245-863-6
FDA UNII:UB23WZ59H0
Nikkaji Web:J242.666H
CoE Number:11506
XlogP3-AA:1.90 (est)
Molecular Weight:132.22584000
Formula:C6 H12 O 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:487 S-methyl 3-methylbutanethioate
FLAVIS Number:12.157 (Old)
DG SANTE Food Flavourings:12.157 S-methyl isopentanethioate
FEMA Number:3864 S-methyl 3-methylbutanethioate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: S-METHYL 3-METHYLBUTANETHIOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93500 to 0.94000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.780 to 7.822
Boiling Point: 157.00 to 158.00 °C. @ 760.00 mm Hg
Vapor Pressure:2.672000 mm/Hg @ 25.00 °C. (est)
Flash Point: 111.00 °F. TCC ( 43.89 °C. )
logP (o/w): 2.232 (est)
Soluble in:
 alcohol
 peanut oil
 water, 3701 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: cheesy
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sharp ripe cheesy sulfurous acidic fermented tomato mushroom
Odor Description:at 0.10 % in propylene glycol. sharp ripe cheese sulfury acrid fermented tomato mushroom
sharp ripe cheesy sulfurous acidic fermented tomato mushroom potato vegetable dairy
Odor Description:at 1.00 %. Sharp ripe cheesy, sulfurous, acrid fermented with tomato, mushroom and potato vegetative notes and dairy cheesy nuances
Mosciano, Gerard P&F 25, No. 3, 25, (2000)
Flavor Type: fermented
fermented creamy dairy cheesy vegetable
Taste Description: at 2.50 - 5.00 ppm. Intense fermented, creamy dairy and cheesy with vegetative nuances
Mosciano, Gerard P&F 25, No. 3, 25, (2000)
Odor and/or flavor descriptions from others (if found).
R C Treatt & Co Ltd
S-Methyl 3-methylbutanethioate Halal, Kosher
Odor Description:fermented, creamy, dairy, cheesy, with vegetable nuances (tomato, mushroom, potato)
Taste Description:creamy
Use: at 1-2.5ppm, in fermented cheese, fermented fruit, blueberry; and meat and savory flavors. We also produce S-Methyl thioacetate, S-Methyl thiobutyrate, S-Methyl thiopropionate, and S-Methyl 4-methylpentanethioate.
 
Cosmetic Information:
None found
 
Suppliers:
Axxence Aromatic
METHYL THIO ISOVALERATE, Natural, Kosher
Sustainability
BOC Sciences
For experimental / research use only.
S-Methyl isovalerate
DeLong Chemicals America
S-Methyl 3-methylbutanethioate, Kosher
Endeavour Specialty Chemicals
S-Methylisovalerate 99% F&F
Speciality Chemical Product Groups
Natural Advantage
Methylthio Isovalerate Nat
Flavor: cheesy, creamy, dairy, fatty, fermented, vegetative
Riverside Aromatics LTD.is the exclusive distributor for Europe in UK for any non-US based inquiries
Penta International
S-METHYL THIOISOVALERATE, Kosher
R C Treatt & Co Ltd
S-Methyl 3-methylbutanethioate
Halal, Kosher
Odor: fermented, creamy, dairy, cheesy, with vegetable nuances (tomato, mushroom, potato)
Flavor: creamy
Use: at 1-2.5ppm, in fermented cheese, fermented fruit, blueberry; and meat and savory flavors. We also produce S-Methyl thioacetate, S-Methyl thiobutyrate, S-Methyl thiopropionate, and S-Methyl 4-methylpentanethioate.
Riverside Aromatics
METHYL THIOISOVALERATE, NATURAL
Robinson Brothers
S-Methylisovalerate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Taytonn
Methyl (3-Methyl)Thiobutyrate
Odor: Cheese, Rancid, Sweaty, Sweet
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 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
 
Safety in Use Information:
Category: flavoring agents
Recommendation for methyl thio isovalerate 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
 average usual ppmaverage maximum ppm
baked goods: 1.500007.50000
beverages(nonalcoholic): 0.100005.00000
beverages(alcoholic): 0.005000.01500
breakfast cereal: 0.300005.00000
cheese: 0.500001.50000
chewing gum: 0.010000.03000
condiments / relishes: 0.020000.10000
confectionery froastings: 0.010000.03000
egg products: 0.200000.60000
fats / oils: 0.200000.60000
fish products: 0.050000.15000
frozen dairy: 0.200005.00000
fruit ices: 0.010000.03000
gelatins / puddings: 0.010000.03000
granulated sugar: --
gravies: 0.050005.00000
hard candy: 0.010000.03000
imitation dairy: 0.200001.00000
instant coffee / tea: 0.005000.02500
jams / jellies: 0.010000.05000
meat products: 0.050005.00000
milk products: 0.050005.00000
nut products: 0.020000.06000
other grains: 0.200001.00000
poultry: 0.050000.15000
processed fruits: 0.010000.03000
processed vegetables: 0.010000.03000
reconstituted vegetables: 0.010000.10000
seasonings / flavors: 200.0000010000.00000
snack foods: 0.500001.50000
soft candy: 0.010005.00000
soups: --
sugar substitutes: --
sweet sauces: 0.050005.00000
 
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

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):23747-45-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :90246
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
S-methyl 3-methylbutanethioate
Chemidplus:0023747457
 
References:
 S-methyl 3-methylbutanethioate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):90246
Pubchem (sid):135046996
 
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):HMDB39843
FooDB:FDB019497
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:S-Methyl 3-methylbutanethioate
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
2-
methyl butyric acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
buttery
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
levulinic acid
FL/FR
strawberry furanone acetate
FL/FR
cheesy
butyric acid
FL/FR
2-
methyl hexanoic acid
FL/FR
S-(
methyl thio) butyrate
FL/FR
2-
methyl valeric acid
FL/FR
iso
valeric acid
FL/FR
coconut
delta-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
delta-
nonalactone
FL/FR
gamma-
octalactone
FL/FR
delta-
undecalactone
FL/FR
coumarinic
epsilon-
decalactone
FL/FR
creamy
butyl lactate
FL/FR
gamma-
butyrolactone
FL/FR
creamy lactone
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
earthy
1-
nonen-3-ol
FL/FR
3-
octanol
FL/FR
fatty
(Z)-
dairy lactone
FL/FR
ethyl undecylenate
FL/FR
hexanoic acid
FL/FR
4-
methyl octanoic acid
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
dihydrojasmone lactone
FL/FR
fruity
acetoin acetate
FL/FR
cyclohexyl carboxylic acid
FL/FR
gamma-
decalactone
FL/FR
farnesyl acetone
FL/FR
filbert hexenone
FL/FR
4-
heptanone
FL/FR
methyl (Z)-5-octenoate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl valerate
FL/FR
prenyl hexanoate
FL/FR
sorbyl butyrate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fungal
1-
decen-3-ol
FL/FR
green
iso
butyl benzyl carbinol
FL/FR
(Z)-4-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(E)-2-
hexenal
FL/FR
mushroom
3-
octen-2-ol
FL/FR
nutty
nutty quinoxaline
FL/FR
sulfurous
S-
tropical 2-thiobutyrate
FL/FR
sweet
vanilla oleoresin bali
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
mint lactone
FL/FR
vanilla
ortho-
dimethyl hydroquinone
FL/FR
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
vanillin
FL/FR
vanillyl acetate
FL/FR
vanillyl isobutyrate
FL/FR
vanillylidene acetone
FL/FR
vegetable
methional
FL/FR
waxy
allyl nonanoate
FL/FR
butyl laurate
FL/FR
5(6)-
decenoic acid
FL/FR
ethyl laurate
FL/FR
ethyl palmitate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
octyl isobutyrate
FL/FR
delta-
tetradecalactone
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
6-
decenoic acid
FL
ortho-
dimethyl hydroquinone
FL/FR
delta-2-
dodecenolactone
FL/FR
ethyl cyclohexyl carboxylate
FL
farnesyl acetone
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
heptanal 2,3-butane diol acetal
FL
(Z)-3-
hexenoic acid
FL
5-
methyl hexanoic acid
FL
4-
methyl valeric acid
FL
prenyl hexanoate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
levulinic acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
amber
iso
butyl benzyl carbinol
FL/FR
balsamic
vanillylidene acetone
FL/FR
brown
2-oxo
butyric acid
FL/FR
buttery
butyl laevo-lactate
FL/FR
diacetyl
FL
2,3-
heptane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
cabbage
methyl 2-thiofuroate
FL
caramellic
creme brulee flavor
FL
pyruvaldehyde
FL
strawberry furanone acetate
FL/FR
cheesy
ammonium isovalerate 30% in pg
FL
hexanoic acid
FL/FR
iso
valeric acid
FL/FR
coconut
delta-
decalactone
FL/FR
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
creamy
acetoin
FL/FR
acetoin butyrate
FL
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
6-
amyl-alpha-pyrone
FL/FR
butyl butyryl lactate
FL/FR
cream
cheese flavor
FL
creamy lactone
FL/FR
custard flavor
FL
5(6)-
decenoic acid
FL/FR
2-
methyl-4-pentenoic acid
FL
mint lactone
FL/FR
delta-
nonalactone
FL/FR
octyl isobutyrate
FL/FR
triacetin
FL
delta-
undecalactone
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
dairy
butyl lactate
FL/FR
methyl (Z)-5-octenoate
FL/FR
4-
pentenoic acid
FL
earthy
1-
decen-3-ol
FL/FR
1-
nonen-3-ol
FL/FR
fatty
(Z)-
dairy lactone
FL/FR
dimethyl sulfoxide
FL
ethyl undecylenate
FL/FR
4-
methyl octanoic acid
FL/FR
nonanoic acid
FL/FR
2,4-
octadien-1-ol
FL
(E)-2-
octenoic acid
FL
fruity
acetoin acetate
FL/FR
acetyl isovaleryl
FL
blueberry cheesecake flavor
FL
cyclohexyl carboxylic acid
FL/FR
gamma-
decalactone
FL/FR
filbert hexenone
FL/FR
4-
heptanone
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl butyric acid
FL/FR
methyl valerate
FL/FR
sorbyl butyrate
FL/FR
green
(Z)-4-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(E)-2-
hexenal
FL/FR
lactonic
gamma-
octalactone
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
milky
gamma-
butyrolactone
FL/FR
mushroom
3-
octen-2-ol
FL/FR
musty
S-(
methyl thio) butyrate
FL/FR
3-
octanol
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
sour
butyric acid
FL/FR
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
spicy
benzylidene acetone
FL
sulfurous
methyl 4-(methyl thio) butyrate
FL
sweet
cyclohexyl acetic acid
FL/FR
vanilla oleoresin bali
FL/FR
toasted
acetyl propionyl
FL/FR
tomato
methional
FL/FR
vanilla
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
vanilla
ice cream flavor
FL
vanillin
FL/FR
vanillyl acetate
FL/FR
vanillyl isobutyrate
FL/FR
waxy
allyl nonanoate
FL/FR
butyl laurate
FL/FR
epsilon-
decalactone
FL/FR
dihydrojasmone lactone
FL/FR
ethyl laurate
FL/FR
ethyl palmitate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
2-
nonanol
FL/FR
octyl 2-furoate
FL
delta-
tetradecalactone
FL/FR
undecanoic acid
FL/FR
 
Potential Uses:
FLblueberry
FLcheese
FLcitrus
FLdairy
 fruit tropical fruit
FLguava
FLlychee
FLpapaya
FLstrawberry
FLvegetable
 
Occurrence (nature, food, other):note
 cheese
Search PMC Picture
 fish
Search PMC Picture
 hop
Search Trop Picture
 
Synonyms:
 butanethioic acid, 3-methyl-, S-methyl ester
 cheesy isovalerate
 methane thioisopentanoate
 methane thiol isovalerate
 methanethiol isovalerate
 methyl (3-methyl)thiobutyrate
S-methyl 3-methyl butane thioate
S-methyl 3-methylbutanethioate
3-methyl butane thioic acid S-methyl ester
3-methyl butanethioic acid S-methyl ester
S-methyl isopentane thioate
S-methyl isopentanethioate
S-methyl thioisovalerate
 methyl thiol isovalerate
S-methylisovalerate
 methylthiol isovalerate
 

Articles:

PubMed:S-methyl thioesters are produced from fatty acids and branched-chain amino acids by brevibacteria: focus on L-leucine catabolic pathway and identification of acyl-CoA intermediates.
PubMed:Study on the organoleptic intensity scale for measuring oral malodor.
PubMed:Fructooligosaccharides and Lactobacillus acidophilus modify gut microbial populations, total tract nutrient digestibilities and fecal protein catabolite concentrations in healthy adult dogs.
PubMed:L-methionine degradation potentialities of cheese-ripening microorganisms.
PubMed:Production of sulfur flavors by ten strains of Geotrichum candidum.
 
Notes:
Prod. by micrococaceae and coryneform bacteria isolated from cheeses. Also in hop oil, honeydew melon, galbanum oil and (tentatively) cantaloupes. Flavouring ingredient
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