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

3-mercapto-3-methyl butanol
3-mercapto-3-methyl-1-butanol

Sponsors

Flavor Demo Formulas
Name:3-methyl-3-sulfanylbutan-1-ol
CAS Number: 34300-94-2Picture of molecule3D/inchi
FDA UNII:1RF3LN9685
Nikkaji Web:J937.258J
MDL:MFCD00101881
XlogP3-AA:0.80 (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
JECFA Food Flavoring:544 3-mercapto-3-methyl-1-butanol
FLAVIS Number:12.137 (Old)
DG SANTE Food Flavourings:12.137 3-mercapto-3-methylbutan-1-ol
FEMA Number:3854 3-mercapto-3-methyl-1-butanol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-MERCAPTO-3-METHYL-1-BUTANOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98300 to 0.99300 @ 20.00 °C.
Pounds per Gallon - (est).: 8.189 to 8.272
Refractive Index:1.47500 to 1.48500 @ 20.00 °C.
Boiling Point: 186.00 °C. @ 730.00 mm Hg
Vapor Pressure:0.150000 mm/Hg @ 25.00 °C. (est)
Flash Point: 145.00 °F. TCC ( 62.78 °C. )
logP (o/w): 0.930 (est)
Soluble in:
 acetone
 alcohol
 water
 water, 1.014e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: meaty
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
roasted spicy sweet vegetable
Odor Description:at 0.10 % in propylene glycol. roasted spicy sweet vegetable
Flavor Type: meaty
meaty beef juice gravy savory
Taste Description: powerful meaty, beef juice and gravy notes. Presented in 10% dilution
Odor and/or flavor descriptions from others (if found).
Firmenich
MERCAPTOMETHYLBUTANOL 10 TRIAC Kosher, Halal
Taste Description:Very powerful meaty, beef juice and gravy notes. Presented in 10% dilution
MERCAPTOMETHYLBUTANOL, in higher dosages, is key for crusty or roasted meat tonalities. In lower dosages (0.02 ppm) works nicely in grapefruit flavors.
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
3-Mercapto-3-methyl-1-butanol
BOC Sciences
For experimental / research use only.
3-Mercapto-3-methyl-1-butanol
Carbosynth
For experimental / research use only.
3-Mercapto-3-methyl-1-butanol
DeLong Chemicals America
3-Mercapto-3-methyl-1-butanol
Endeavour Specialty Chemicals
3-Mercapto-3-methyl-1-butanol 97% F&F
Speciality Chemical Product Groups
Firmenich
MERCAPTOMETHYLBUTANOL 10 TRIAC
Kosher, Halal
Flavor: Very powerful meaty, beef juice and gravy notes. Presented in 10% dilution
MERCAPTOMETHYLBUTANOL, in higher dosages, is key for crusty or roasted meat tonalities. In lower dosages (0.02 ppm) works nicely in grapefruit flavors.
Frutarom
3-MERCAPTO-3-METHYLBUTANOL
Penta International
3-MERCAPTO-3-METHYL-1-BUTANOL, Kosher
Robinson Brothers
3-Mercapto-3-methyl-1-butanol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich
3-Mercapto-3-methylbutan-1-ol, ≥98%, FG
Certified Food Grade Products
Taytonn
3-Mercapto-3-methylbutanol
Odor: Roast, Spicy, Sweet, Vegetable
TCI AMERICA
For experimental / research use only.
3-Mercapto-3-methyl-1-butanol >98.0%(GC)(T)
Treatt
3-Mercapto-3-methylbutan-1-ol
Kosher
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36 - Irritating to eyes.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 37/39 - Wear suitable 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 3-mercapto-3-methyl butanol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/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: 18
 average usual ppmaverage maximum ppm
baked goods: 0.020000.05000
beverages(nonalcoholic): 0.010000.02000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.100000.50000
condiments / relishes: --
confectionery froastings: 0.010000.02000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.010000.02000
fruit ices: --
gelatins / puddings: 0.010000.02000
granulated sugar: --
gravies: 0.020000.05000
hard candy: 0.020000.05000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.020000.05000
milk products: 0.010000.02000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.020000.05000
soft candy: 0.010000.02000
soups: 0.020000.05000
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

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
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 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
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

Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :520682
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methyl-3-sulfanylbutan-1-ol
Chemidplus:0034300942
 
References:
 3-methyl-3-sulfanylbutan-1-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):520682
Pubchem (sid):135230963
Flavornet:34300-94-2
 
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):HMDB36149
FooDB:FDB015000
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:3-Mercapto-3-methyl-1-butanol
 
Potential Blenders and core components note
For Odor
balsamic
annus
wormwood oil france
FL/FR
coconut
wine lactone
FL/FR
floral
rose absolute (rosa damascena) bulgaria
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
ylang ylang flower absolute
FL/FR
herbal
hop oil
FL/FR
musty
hazelnut pyrazine
FL/FR
spicy
caraway seed oleoresin
FL/FR
carrot weed oil
FL/FR
turmeric root oil china
FL/FR
For Flavor
No flavor group found for these
2-
butyl furan
FL
rose absolute (rosa damascena) bulgaria
FL/FR
wine lactone
FL/FR
annus
wormwood oil france
FL/FR
floral
floral
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
ylang ylang flower absolute
FL/FR
green
carrot weed oil
FL/FR
herbal
hop oil
FL/FR
meaty
ortho-
thioguaiacol
FL
musty
2-
ethoxythiazole
FL
hazelnut pyrazine
FL/FR
spicy
caraway seed oleoresin
FL/FR
turmeric root oil china
FL/FR
 
Potential Uses:
FLbeef
FLbroth
FLcoffee
FLmeat
FLsavory
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 currant black currant fruit juice
Search Trop Picture
 passion fruit juice
Search Trop Picture
 wine
Search Picture
 
Synonyms:
 butan-1-ol, 3-mercapto-3-methyl-
1-butanol, 3-mercapto-3-methyl-
3-mercapto-3-methyl butan-1-ol
3-mercapto-3-methyl-1-butanol
3-mercapto-3-methylbutan-1-ol
3-mercapto-3-methylbutanol
 mercaptomethyl butanol
 mercaptomethylbutanol
 mercaptomethylbutanol 10 TRIAC
3-methyl-3-sulfanyl-1-butanol
3-methyl-3-sulfanylbutan-1-ol
 

Articles:

PubMed:Identification of potent odourants in wine and brewed coffee using gas chromatography-olfactometry and comprehensive two-dimensional gas chromatography.
PubMed:Relationship between nitrogen content in grapes and volatiles, namely heavy sulphur compounds, in wines.
PubMed:Construction and evaluation of self-cloning bottom-fermenting yeast with high SSU1 expression.
PubMed:Thresholds and chemosensory event-related potentials to malodors before, during, and after puberty: differences related to sex and age.
PubMed:A major urinary protein of the domestic cat regulates the production of felinine, a putative pheromone precursor.
PubMed:Elucidating drug-metalloprotein interactions with tris(pyrazolyl)borate model complexes.
PubMed:Influence of human salivary enzymes on odorant concentration changes occurring in vivo. 1. Esters and thiols.
PubMed:Identification of cysteinylated aroma precursors of certain volatile thiols in passion fruit juice.
PubMed:Optically active antifungal azoles. I. Synthesis and antifungal activity of (2R,3R)-2-(2,4-difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-b utanol and its stereoisomers.
 
Notes:
Found in coffee volatiles, white wine and passion fruit. Flavouring agent for baked goods, meat products etc.
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