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

roasted butanol
alpha-methyl-beta-hydroxypropyl alpha-methyl-beta-mercaptopropyl sulfide

Sponsors

Flavor Demo Formulas
Name:3-(3-sulfanylbutan-2-ylsulfanyl)butan-2-ol
CAS Number: 54957-02-7Picture of molecule3D/inchi
FDA UNII:T27YXW53EF
Nikkaji Web:J312.365K
MDL:MFCD00038597
CoE Number:2353
XlogP3-AA:2.20 (est)
Molecular Weight:194.36066000
Formula:C8 H18 O S2
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:547 alpha-methyl-beta-hydroxypropyl alpha-methyl-beta-mercaptopropyl sulfide
FLAVIS Number:12.036 (Old)
DG SANTE Food Flavourings:12.036 3-[(2-mercapto-1-methylpropyl)thio]-2-butanol
FEMA Number:3509 alpha-methyl-beta-hydroxypropyl alpha-methyl-beta-mercaptopropyl sulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ALPHA-METHYL-BETA-HYDROXYPROPYL ALPHA-METHYL-BETA-MERCAPTOPROPYL SULFIDE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 94.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 85.00 to 88.00 °C. @ 0.40 mm Hg
Vapor Pressure:0.000268 mm/Hg @ 25.00 °C. (est)
Flash Point: 212.00 °F. TCC ( 100.00 °C. )
logP (o/w): 2.127 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 828.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: meaty
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
roasted meaty burnt fatty sulfurous
Odor Description:at 0.10 % in propylene glycol. roasted meaty burnt fatty sulfurous
roasted meaty sulfurous fatty brothy
Odor Description:at 1.00 %. Roasted, meaty and sulfureous with a fatty, brothy nuance
Mosciano, Gerard P&F 21, No. 2, 47, (1996)
Flavor Type: sulfurous
sulfurous roasted meaty burnt savory
Taste Description: at 2.50 ppm. Sulfureous, roasted and meaty with a burnt, savory note
Mosciano, Gerard P&F 21, No. 2, 47, (1996)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
A-Methyl-b-hydroxypropyl-a-methyl-b-mercaptopropyl sulfide
BOC Sciences
For experimental / research use only.
3-((2-Mercapto-1-methylpropyl)thio)-2-butanol
DeLong Chemicals America
a-Methyl-β-hydroxypropyl a-methyl-β-mercaptopropyl sulfide, Kosher
Jinan Enlighten Chemical Technology(Wutong Aroma )
3-(3-Mercaptobutan-2-ylthio)butan-2-ol
M&U International
A-METHYL-B-HYDROXYPROPYL-A'-METHYL-B'-MERCAPTO PROPYL SULFIDE, Kosher
Penta International
a-METHYL-b-HYDROXYPROPYL-a-METHYL-b-MERCAPTOPROPYL SULFIDE, Kosher
Sunaux International
a-Methyl-b-hydroxypropyl-a'-methyl-b'-mercapto Propyl Sulfide
Synerzine
alpha-Methyl-beta-hydroxypropyl Alpha-methyl-beta-mercaptopropyl Sulfide
 
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 roasted butanol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
NOEL (No Observed Effect Level): 2.8 (mg/kg bw per 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: 10
 average usual ppmaverage maximum ppm
baked goods: -0.75000
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: -0.75000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.75000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.75000
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 :62090
National Institute of Allergy and Infectious Diseases:Data
3-(3-sulfanylbutan-2-ylsulfanyl)butan-2-ol
Chemidplus:0054957027
 
References:
 3-(3-sulfanylbutan-2-ylsulfanyl)butan-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:54957-02-7
Pubchem (cid):62090
Pubchem (sid):135021366
 
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):HMDB37295
FooDB:FDB016314
ChemSpider:View
FAO:alpha-Methyl-beta-hydroxypropyl alpha-methyl-beta-mercaptopropyl sulfide
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
methyl furfuryl disulfide
FL/FR
burnt
rum ether
FL/FR
caramellic
strawberry furanone
FL/FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
earthy
nutty pyrazine
FL/FR
fermented
ethyl crotonate
FL/FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
3-
mercaptohexyl acetate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
prunus amygdalus amara seed extract
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
(E)-2-
undecenal
FL/FR
green
2-
heptyl furan
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfurol
FL/FR
sulfuryl acetate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
2-
ethyl pyrazine
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
filbert heptenone
FL/FR
2,6-
lutidine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
phenolic
2,3-
dimethyl benzofuran
FL/FR
ortho-
guaiacol
FL/FR
4-
vinyl phenol
FL/FR
roasted
trigonella foenum-graecum seed oil CO2 extract
FL/FR
smoky
2,6-
dimethoxyphenol
FL/FR
pyroligneous acids
FL/FR
sulfurous
benzothiazole
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl 3-mercaptopropionate
FL/FR
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl mercaptan
FL/FR
2-(
methyl thio) phenol
FL/FR
tobacco
methyl benzoxole
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
amyl mercaptan
FL
1,2-
butane dithiol
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
2,5-
diethyl thiazole
FL
dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine
FL
dimethyl tetrasulfide
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
ethyl 3-mercaptopropionate
FL/FR
2-
ethyl-3-methyl thiopyrazine
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
2-
hexyl thiophene
FL
1-(3-
hydroxy-5-methyl-2-thienyl) ethanone
FL
3-
mercapto-3-methyl butyl formate
FL
4-
mercapto-3-methyl-2-butanol
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl dihydrofuran thiol
FL
2-
methyl thiazolidine
FL
2-
methyl-1-butane thiol
FL
4-
methyl-2-(methyl thiomethyl)-2-hexenal
FL
2-
methyl-2-thiazoline
FL
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
1,9-
nonane dithiol
FL
1-
phenethyl mercaptan
FL
iso
propyl disulfide
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
thiazole
FL
3-
thienyl mercaptan
FL
thioacetic acid
FL
3,5-
diisopropyl-1,2,4-trithiolane
FL
3,5-
dimethyl-1,2,4-trithiolane
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
2,4-
dimethyl-3-oxazoline
FL
4-
mercapto-2-pentanone 1% in acetoin
FL
2-
methyl-1-methyl thio-2-butene
FL
3-
methyl-1,2,4-trithiane
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
garlic oil extenders
FL
3-
mercapto-2-pentanone
FL
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
bacon
bacon reaction crispy
FL
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
rum ether
FL/FR
caramellic
strawberry furanone
FL/FR
chemical
2,3-
dimethyl benzofuran
FL/FR
2,5-
dimethyl furan
FL
coffee
coffee difuran
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
furfuryl mercaptan
FL/FR
methyl furfuryl disulfide
FL/FR
methyl furfuryl mercaptopropionate
FL
methyl furfuryl thiol
FL
earthy
difurfuryl sulfide
FL
(±)-2-
mercapto-5-methylheptan-4-one
FL
1,8-
octane dithiol
FL
2-
thienyl disulfide
FL
eggy
iso
propyl mercaptan
FL
fatty
pork
fat extract
FL
2-
heptyl furan
FL/FR
4-
methyl nonanoic acid
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
2-
pentyl thiophene
FL
fruity
2-
ethyl-2,5-dihydro-4-methyl thiazole
FL
tropical trithiane
FL/FR
greasy
10-
undecen-1-yl acetate
FL/FR
green
4-
methyl thiazole
FL
(E,Z)-2,6-
nonadienal
FL/FR
4-
penten-1-yl acetate
FL
herbal
celery seed oleoresin
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
bacon flavor
FL
beef broth flavor
FL
BBQ
beef flavor
FL
roast
beef flavor
FL
beef flavor
FL
beef flavor base
FL
benzothiazole
FL/FR
chicken bone extract
FL
chicken extract
FL
chicken flavor
FL
grilled
chicken flavor
FL
chicken key
FL
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
2',3-
dimethyl-3',4-dioxa-2,8-dithiabicyclo(3.3.0)octane spirocyclopentane
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
ethyl 2-hydroxyethyl sulfide
FL
furfuryl 2-methyl-3-furyl disulfide
FL
4-
furfuryl thio-2-pentanone
FL
ham enhancers
FL
ham flavor
FL
hot dog flavor
FL
lamb flavor
FL
liver flavor
FL
meat broth concentrates
FL
meat flavors
FL
meaty dithiane
FL/FR
meaty enhancers
FL
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
3-
mercapto-3-methyl butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
2-(
methyl thio) phenol
FL/FR
methyl thiofuryl butanal
FL
12-
methyl tridecanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
phenyl mercaptan
FL
grilled
pork flavor
FL
roasted
pork flavor
FL
pork flavor
FL
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
rabbit flavor
FL
grilled
steak flavor
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
smoked
turkey flavor
FL
roast
turkey flavor
FL
turkey flavor
FL
veal flavor
FL
venison flavor
FL
medicinal
2,6-
dimethoxyphenol
FL/FR
metallic
2,5-
dihydroxy-1,4-dithiane
FL
moldy
strawberry furanone methyl ether
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-4-methyl thiazole
FL
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
2,6-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
filbert heptenone
FL/FR
2,6-
lutidine
FL/FR
methyl benzoxole
FL/FR
nutty pyrazine
FL/FR
nutty thiazole
FL
prunus amygdalus amara seed extract
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
phenolic
2-
ethyl benzene thiol
FL
4-
vinyl phenol
FL/FR
popcorn
2-
propionyl-2-thiazoline
FL
radish
3-(
methyl thio) propyl mercaptoacetate
FL
roasted
3,5-
diisobutyl-1,2,4-trithiolane
FL
furfuryl thioacetate
FL/FR
hexyl mercaptan
FL
trigonella foenum-graecum seed oil CO2 extract
FL/FR
rummy
ethyl crotonate
FL/FR
savory
2,4,6-
triethyl tetrahydro-1,3,5-dithiazine
FL
smoky
prosopis juliflora wood extract
FL
pyroligneous acids
FL/FR
spicy
hot spicy
beef flavor
FL
sulfurous
2,3-
butane dithiol
FL
butyl mercaptan
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
fish thiol
FL/FR
furfuryl thiopropionate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl mercaptan
FL/FR
2-
methyl thiophene
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
3-
pentane thiol
FL
tropical
3-
mercaptohexyl acetate
FL/FR
vegetable
tyramine
FL
wasabi
2-(
methyl thio) ethyl acetate
FL
waxy
(E)-2-
undecenal
FL/FR
woody
ortho-
guaiacol
FL/FR
yeasty
faex extracts
FL
 
Potential Uses:
FLcoffee
FLgarlic
FLmeat
FLnut
FLonion
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-butanol, 3-((2-mercapto-1-methylpropyl)thio)-
2-butanol, 3-[(2-mercapto-1-methylpropyl)thio]-
3-2-mercapto-1-methyl propyl thio-2-butanol
3-((2-mercapto-1-methyl propyl)thio)-2-butanol
3-[(2-mercapto-1-methylpropyl)thio]-2-butanol
3-(1-methyl-2-sulfanylpropylthio)butan-2-ol
a-methyl-b-hydroxypropyl a-methyl-b-mercaptopropyl sulfide
a-methyl-b-hydroxypropyl-a-methyl-b-mercaptopropyl sulfide
a-methyl-b-hydroxypropyl-a'-methyl-b'-mercapto propyl sulfide
alpha-methyl-beta-hydroxypropyl alpha-methyl-beta-mercaptopropyl sulfide
a-methyl-β-hydroxypropyl a-methyl-β-mercaptopropyl sulfide
3-[(3-sulfanyl-2-butanyl)sulfanyl]-2-butanol
3-[(3-sulfanylbutan-2-yl)sulfanyl]butan-2-ol
3-(3-sulfanylbutan-2-ylsulfanyl)butan-2-ol
 thionol-966 (IFF)
 
 
Notes:
Flavour ingredient for roast meat, poultry, soups and baked goods
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