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

4-(methyl thio) butanol
4-(methylthio)butanol

Supplier Sponsors

Name:4-methylsulfanylbutan-1-ol
CAS Number: 20582-85-8Picture of molecule3D/inchi
FDA UNII:YL87URY6PC
Nikkaji Web:J899.833G
MDL:MFCD00002973
XlogP3-AA:0.90 (est)
Molecular Weight:120.21484000
Formula:C5 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:462 4-(methylthio)butanol
FLAVIS Number:12.078 (Old)
DG SANTE Food Flavourings:12.078 4-(methylthio)butanol
FEMA Number:3600 4-(methylthio)butanol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):20582-85-8 ; 4-(METHYLTHIO)BUTANOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96400 to 0.97400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.031 to 8.114
Refractive Index:1.47400 to 1.48900 @ 20.00 °C.
Boiling Point: 95.00 to 98.00 °C. @ 20.00 mm Hg
Boiling Point: 62.00 to 67.00 °C. @ 0.40 mm Hg
Vapor Pressure:0.170000 mmHg @ 25.00 °C. (est)
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): 0.787 (est)
Soluble in:
 fats
 water, 1.617e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
cabbage garlic sulfurous potato green vegetable
Odor Description:at 0.10 % in propylene glycol. cabbage garlic sulfury potato green vegetable
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-(Methylthio)butanol
Endeavour Specialty Chemicals
4-(Methylthio)butanol 98% F&F
Speciality Chemical Product Groups
Penta International
4-METHYLTHIOBUTANOL, Kosher
R C Treatt & Co Ltd
4-Methylthiobutanol
Halal, Kosher
Odor: Pungent cabbage odour, garlic/potato/green on dilution
Flavor: sulfurous
Typically used at 0.5ppm in meat products, soups/sauces, and seasonings/flavourings.
Robinson Brothers
4-(Methylthio)butanol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
4-(Methylthio)-1-butanol
Sigma-Aldrich
4-(Methylthio)butanol, 97%, FG
Certified Food Grade Products
Synerzine
4-(Methylthio) Butanol
 
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 4-(methyl thio) butanol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: 12
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -0.50000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.50000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.50000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -0.50000
snack foods: --
soft candy: --
soups: -0.50000
sugar substitutes: --
sweet sauces: --
 
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 :519793
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-methylsulfanylbutan-1-ol
Chemidplus:0020582858
 
References:
 4-methylsulfanylbutan-1-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):519793
Pubchem (sid):135281605
 
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 Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB41562
FooDB:FDB021551
YMDB (Yeast Metabolome Database):YMDB01622
Export Tariff Code:2930.20.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:4-(Methylthio)butanol
 
Potential Blenders and core components note
For Odor
alliaceous
propyl mercaptan
FL/FR
cheesy
S-(
methyl thio) butyrate
FL/FR
chocolate
cocoa hexenal
FL/FR
coffee
coffee difuran
FL/FR
earthy
2-
ethyl-3-methoxypyrazine
FL/FR
nutty pyrazine
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
floral
hexyl nonanoate
FL/FR
fruity
2-
heptyl butyrate
FL/FR
tropical thiazole
FL/FR
green
2-iso
butyl pyrazine
FL/FR
cucumber essence
FL/FR
geranium thiazole
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
4-
hexenol
FL/FR
2-
octen-1-ol
FL/FR
1-
penten-3-ol
FL/FR
iso
propyl decanoate
FL/FR
herbal
3-
butylidene phthalide
FL/FR
2-
pentyl acetate
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
minty
iso
propyl tiglate
FL/FR
nutty
2-
acetyl-3-ethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
spicy
cumin seed oil
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ferula assa-foetida absolute
FL/FR
grapefruit menthane
FL/FR
methyl mercaptan
FL/FR
3-(
methyl thio) hexanol
FL/FR
2-(
methyl thio) phenol
FL/FR
onion oil
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
vegetable
methional
FL/FR
waxy
propyl decanoate
FL/FR
For Flavor
No flavor group found for these
allyl propyl disulfide
FL
2-iso
butyl pyrazine
FL/FR
diethyl trisulfide
FL
dimethyl tetrasulfide
FL
2-
ethyl-3-methoxypyrazine
FL/FR
2-
ethyl-4,5-dimethyl oxazole
FL
green pea pyrazine
FL
2-
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-4-
hexenal
FL
hexyl nonanoate
FL/FR
mercaptoacetaldehyde
FL
2-
methoxy-3-propyl pyrazine
FL
methyl 2-(methyl thio) acetate
FL
S-
methyl benzothioate
FL
methyl butyl sulfide
FL
2-
methyl thiazole
FL
2-(
methyl thio) methyl-2-butenal
FL
4-
methyl thiobutyl isothiocyanate
FL
5-
methyl thiopentyl isothiocyanate
FL
2-
methyl-5-methoxythiazole
FL
2-
methyl-6-propoxypyrazine
FL
propyl decanoate
FL/FR
iso
propyl decanoate
FL/FR
iso
propyl disulfide
FL
2-iso
propyl pyridine
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
tetrahydrothiophene
FL
S-
tropical 2-thiobutyrate
FL/FR
alliaceous
alliaceous
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
propyl mercaptan
FL/FR
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
celery
3-
butylidene phthalide
FL/FR
cocoa
cocoa hexenal
FL/FR
coffee
coffee difuran
FL/FR
dairy
2-
pentyl acetate
FL/FR
fatty
2-
octen-1-ol
FL/FR
fruity
methionyl butyrate
FL
green
cucumber essence
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
geranium thiazole
FL/FR
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-(5-
methyl-2-furyl) butanal
FL
1-
penten-3-ol
FL/FR
2-
propyl pyrazine
FL
iso
propyl tiglate
FL/FR
propylene glycol acetone ketal
FL
meaty
2-(
methyl thio) phenol
FL/FR
pyrazinyl ethane thiol
FL
metallic
4-
hexenol
FL/FR
3-(
methyl thio) hexanol
FL/FR
milky
dextro,laevo-3-(
methyl thio) butanone
FL
musty
S-(
methyl thio) butyrate
FL/FR
nutty
2-
acetyl-3-ethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
2-
ethyl-6-methyl pyrazine
FL
nutty pyrazine
FL/FR
spicy
cumin seed oil
FL/FR
sulfurous
diallyl polysulfides
FL
diallyl tetrasulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ethyl methyl sulfide
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
grapefruit menthane
FL/FR
methyl 4-(methyl thio) butyrate
FL
methyl benzyl disulfide
FL
methyl mercaptan
FL/FR
onion oil
FL/FR
potato butanone
FL
tomato
methional
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
potato butyraldehyde
FL
waxy
(Z)-6-
nonen-1-ol
FL/FR
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FLcabbage
FLgarlic
FLmeat
 seasonings
FLsoup
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 wine white wine
Search Picture
 
Synonyms:
 butanol, 4-(methylthio)-
1-butanol, 4-(methylthio)-
4-(methyl thio)-1-butanol
4-methyl thiobutanol
4-(methylmercapto)butanol
4-methylsulfanyl-butan-1-ol
4-(methylsulfanyl)-1-butanol
4-(methylsulfanyl)butan-1-ol
4-methylsulfanylbutan-1-ol
4-(methylthio) butanol
4-(methylthio)-1-butanol
4-(methylthio)butanol
4-methylthiobutan-1-ol
4-methylthiobutanol
 
 
Notes:
Present in coffee. Flavouring ingredient
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