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

butyl mercaptan
1-butanethiol

Sponsors

Name:butane-1-thiol
CAS Number: 109-79-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-705-3
FDA UNII:77OY909F30
Nikkaji Web:J1.970D
Beilstein Number:1730908
MDL:MFCD00004905
CoE Number:526
XlogP3:2.30 (est)
Molecular Weight:90.18870000
Formula:C4 H10 S
BioActivity Summary:listing
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:511 1-butanethiol
FLAVIS Number:12.010 (Old)
DG SANTE Food Flavourings:12.010 butane-1-thiol
FEMA Number:3478 1-butanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 1-BUTANETHIOL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83800 to 0.84800 @ 25.00 °C.
Pounds per Gallon - (est).: 6.973 to 7.056
Refractive Index:1.43600 to 1.44600 @ 20.00 °C.
Melting Point:-116.00 °C. @ 760.00 mm Hg
Boiling Point: 98.50 °C. @ 760.00 mm Hg
Vapor Pressure:45.500000 mm/Hg @ 25.00 °C.
Vapor Density:3.1 ( Air = 1 )
Flash Point: 55.00 °F. TCC ( 12.78 °C. )
logP (o/w): 2.280
Soluble in:
 oils, slightly
 water, 597 mg/L @ 20 °C (exp)
Similar Items:note
allyl mercaptan
amyl mercaptan
isoamyl mercaptan
sec-amyl mercaptan
tert-amyl mercaptan
benzyl mercaptan
buchu mercaptan
isobutyl mercaptan
tert-butyl mercaptan
cetyl mercaptan
cyclohexyl mercaptan
cyclopentyl mercaptan
decyl mercaptan
dodecyl mercaptan
2-ethyl hexyl mercaptan
ethyl mercaptan
ethylene mercaptan
furfuryl mercaptan
grapefruit mercaptan
heptyl mercaptan
hexyl mercaptan
methyl mercaptan
2-naphthyl mercaptan
nonyl mercaptan
octyl mercaptan
peach mercaptan
1-phenethyl mercaptan
2-phenethyl mercaptan
phenyl mercaptan
prenyl mercaptan
propyl mercaptan
isopropyl mercaptan
2-thienyl mercaptan
3-thienyl mercaptan
tridecyl mercaptan
undecyl mercaptan
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous garlic onion egg nog coffee
Odor Description:at 0.10 % in propylene glycol. sulfury garlic onion egg coffee
sulfurous fatty beefy roasted beefy onion cooked onion egg nog coffee garlic
Odor Description:Sulfureous, fatty, stewed beef, sauteed onion, egg, coffee and garlic
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
Flavor Type: sulfurous
sulfurous vegetable savory meaty garlic onion
Taste Description: at 1.00 ppm. Sulfureous, vegetative, savory meaty, garlic and onion
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
Odor and/or flavor descriptions from others (if found).
Sigma-Aldrich
1-Butanethiol, ≥98%
Odor Description:alliaceous (onion, garlic)
Natural Advantage
1-Butanethiol Nat
Taste Description:Sautéed onion and poultry meat
Flavor Use: @ 0.02 ppm in meat, meat sauces, soups, condiment, pickles, seasonings. Use Level: 0.0005-0.2 ppm as consumed
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
BUTYL MERCAPTAN SYNTHETIC
Beijing Lys Chemicals
1-Butanethiol
Chevron Phillips
n-Butyl Mercaptan
DeLong Chemicals America
1-Butanethiol, Kosher
EMD Millipore
For experimental / research use only.
1-Butanethiol
Jinan Enlighten Chemical Technology(Wutong Aroma )
n-Butyl mercaptan, Kosherk
Natural Advantage
1-Butanethiol Nat
Flavor: Sautéed onion and poultry meat
Flavor Use: @ 0.02 ppm in meat, meat sauces, soups, condiment, pickles, seasonings. Use Level: 0.0005-0.2 ppm as consumed
Penta International
1-BUTANETHIOL NATURAL, Kosher
Penta International
1-BUTANETHIOL, Kosher
Riverside Aromatics
1-BUTANETHIOL, NATURAL
Santa Cruz Biotechnology
For experimental / research use only.
1-Butanethiol
Sigma-Aldrich
1-Butanethiol, ≥98%
Odor: alliaceous (onion, garlic)
Certified Food Grade Products
Synerzine
1-Butanethiol
Taytonn
Butyl Mercaptan
Odor: Cabbage, Earthy, Onion, Sulphurous
TCI AMERICA
For experimental / research use only.
1-Butanethiol >97.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Butyl Mercaptan
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 11 - Highly flammable.
R 20/22 - Harmful by inhalation and if swallowed.
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 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
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:
gavage-rat LD50 1500 mg/kg
(Fairchild & Stokinger, 1958)

intraperitoneal-rat LD50 399 mg/kg
BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

oral-mouse LD50 3000 mg/kg
"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol.Pg.982, 1986

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC50 4020 ppm/4H
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

inhalation-mouse LC50 2500 ppm/4H
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

 
Safety in Use Information:
Category: flavoring agents
Recommendation for butyl mercaptan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.39 (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: 10
 average usual ppmaverage maximum ppm
baked goods: --
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: -0.02000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.02000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -0.02000
snack foods: --
soft candy: --
soups: -0.02000
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
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):109-79-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8012
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3336
WGK Germany:3
butane-1-thiol
Chemidplus:0000109795
EPA/NOAA CAMEO:hazardous materials
RTECS:109-79-5
 
References:
 butane-1-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:109-79-5
Pubchem (cid):8012
Pubchem (sid):134973857
 
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
CHEMBL:View
KEGG (GenomeNet):C00986
HMDB (The Human Metabolome Database):HMDB31322
FooDB:FDB003381
Export Tariff Code:2930.90.9190
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:1-Butanethiol
Formulations/Preparations:
grade: 95%.
 
Potential Blenders and core components note
For Odor
alliaceous
dibutyl sulfide
FL/FR
dimethyl trisulfide
FL/FR
methyl furfuryl disulfide
FL/FR
chocolate
2,5-
dimethyl pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
herbal
trigonella foenum-graecum seed extract
FL/FR
meaty
sulfurol
FL/FR
sulfuryl acetate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
nutty
2,4,5-
trimethyl oxazole
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
ethyl 2-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
furfuryl thioacetate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
For Flavor
No flavor group found for these
gamma-
aminobutyric acid
FL
benzyl methyl sulfide
FL
2-(
methyl thio) methyl-2-butenal
FL
1,9-
nonane dithiol
FL
N-(2-(3,4-
dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
FL
2,4-
dimethyl-3-oxazoline
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
bready
trigonella foenum-graecum seed extract
FL/FR
burnt
2,4,5-
trimethyl oxazole
FL/FR
chemical
2,5-
dimethyl furan
FL
coffee
2,4-
dimethyl thiazole
FL
methyl furfuryl disulfide
FL/FR
green
dibutyl sulfide
FL/FR
meaty
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-
methyl 3-(methyl thio) furan
FL
bis(2-
methyl-3-furyl) disulfide
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
pyridinyl methane thiol
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
ortho-
thiocresol
FL
moldy
strawberry furanone methyl ether
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
ethyl (E)-2-crotonate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
nutty
2,6-
dimethyl pyrazine
FL/FR
nutty thiazole
FL
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
furfuryl thioacetate
FL/FR
hexyl mercaptan
FL
savory
N1-(2-
methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
ethyl methyl mercaptopropionate
FL/FR
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl benzyl disulfide
FL
3-
methyl-2-butane thiol
FL
roasted butanol
FL
 
Potential Uses:
FLbeef
FLcheese
FLegg
FLgarlic
FLonion
 
Occurrence (nature, food, other):note
 beef
Search PMC Picture
 beer
Search PMC Picture
 cheese cheddar cheese
Search PMC Picture
 chicken raw chicken
Search PMC Picture
 egg boiled egg
Search PMC Picture
 potato cooked potato
Search Trop Picture
 turkey raw turkey
Search Picture
 
Synonyms:
 bear skunk
1-butane thiol
 butane-1-thiol
1-butanethiol
1-butyl mercaptan
N-butyl mercaptan
 butyl mercaptan synthetic
 butyl sulfide
 butyl sulphide
 butyl thioalcohol
 butyl thiol
N-butyl-sulfide
1-mercaptobutane
 thiobutyl alcohol
 

Articles:

PubMed:Development of a quantitative approach using surface-enhanced Raman chemical imaging: first step for the determination of an impurity in a pharmaceutical model.
PubMed:Community Health Assessment Following Mercaptan Spill: Eight Mile, Mobile County, Alabama, September 2012.
PubMed:Stability of volatile sulfur compounds (VSCs) in sampling bags - impact of temperature.
PubMed:Determination of Lewisites and their hydrolysis products in aqueous and multiphase samples by in-sorbent tube butyl thiolation followed by thermal desorption-gas chromatography-full scan mass spectrometry.
PubMed:Oxygen attachment on alkanethiolate SAMs induced by low-energy electron irradiation.
PubMed:Electrochemical gas sensors based on paper-supported room-temperature ionic liquids for improved analysis of acid vapours.
PubMed:Analysis of thiols by microchip capillary electrophoresis for in situ planetary investigations.
PubMed:Ion-molecule reactions for the differentiation of primary, secondary and tertiary hydroxyl functionalities in protonated analytes in a tandem mass spectrometer.
PubMed:An electrochemical gas sensor based on paper supported room temperature ionic liquids.
PubMed:Aqueous photoreduction of oxidized mercury species in presence of selected alkanethiols.
PubMed:A cataluminescence gas sensor based on nanosized V2O5 for tert-butyl mercaptan.
PubMed:Synthesis of thiol capped CdS nanocrystallites using microwave irradiation and studies on their steady state and time resolved photoluminescence.
PubMed:Principles of detecting vaporous thiols using liquid crystals and metal ion microarrays.
PubMed:Kinetic and theoretical study of the reaction of Cl atoms with a series of linear thiols.
PubMed:A new efficient enantioselective synthesis of (+)-cis-2-methyl-4-propyl-1,3-oxathiane, a valuable ingredient for the aroma of passion fruit.
PubMed:Conformationally specific vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of alkanethiols: structure and ionization of conformational isomers of ethanethiol, isopropanethiol, 1-propanethiol, tert-butanethiol, and 1-butanethiol.
PubMed:Determination of volatile organic sulfur compounds in the air at sewage management areas by thermal desorption and gas chromatography-mass spectrometry.
PubMed:A micromachined surface stress sensor with electronic readout.
PubMed:[Determination and distribution of sulfur compounds in coked gasoline by gas chromatography-sulfur chemiluminescence detection].
PubMed:Electrochemical factors controlling the patterning of metals on SAM-coated substrates.
PubMed:Synthesis of hydroxy thio-ether derivatives of vegetable oil.
PubMed:[Determination of sulfur compounds in fluid catalytic cracking gasoline by gas chromatography with a sulfur chemiluminescence detector].
PubMed:On-column derivatization-capillary electrochromatography with o-phthalaldehyde/alkylthiol for assay of biogenic amines.
PubMed:Volatile components in defensive spray of the hooded skunk, Mephitis macroura.
PubMed:NEXAFS study of 1-butanethiol adsorbed on Cu(111) and square root of 7 x square root of 7 R19.1 degrees S/Cu(111).
PubMed:Effects of the sniffing port air makeup in gas chromatography-olfactometry.
PubMed:Inter- and intramolecular pathways for the formation of tetrahydrofurans from beta-(Phosphatoxy)alkyl radicals. Evidence for a dissociative mechanism
PubMed:Determination of sulphur compounds in beer using headspace solid-phase microextraction and gas chromatographic analysis with pulsed flame photometric detection.
PubMed:[Hygienic assessment of damaging exposure of schoolchildren to butyl mercaptan].
PubMed:Mortality following cotton defoliation: San Joaquin Valley, California, 1970-1990.
PubMed:Metabolic fate of S,S,S-tributyl phosphorotrithioate (DEF) in the lactating goat.
PubMed:Volatile components in defensive spray of the hog-nosed skunk,Conepatus mesoleucus.
PubMed:Volatile components in defensive spray of the spotted skunk,Spilogale putorius.
PubMed:New components in defensive secretion of the striped skunk,Mephitis mephitis.
PubMed:Oxidation of thiols by sodium N-haloarylsulphonamides.
PubMed:Mercaptans decrease selenium-dependent glutathione peroxidase activity in the chick.
PubMed:Inhalation teratology studies of n-butyl mercaptan in rats and mice.
PubMed:Antioxidant enzyme activities and malondialdehyde, glutathione and methemoglobin concentrations in channel catfish exposed to DEF and n-butyl mercaptan.
PubMed:Liquid chromatographic-fluorescence determination of ammonia from nitrogenase reactions: a 2-min assay.
PubMed:Heinz body production and hematological changes in the hen after administration of a single oral dose of n-butyl mercaptan and n-butyl disulfide.
PubMed:Butyl mercaptan poisoning in the Parnell civil defence emergency: fact or fiction.
PubMed:Reactions of mercaptans with cytochrome c oxidase and cytochrome c.
PubMed:Delayed neurotoxic, late acute and cholinergic effects of S,S,S-tributyl phosphorotrithioate (DEF): subchronic (90 days) administration in hens.
PubMed:Specific inhibition of sclerotium formation by 2-mercaptoethanol and related sulfhydryl compounds in Sclerotium rolfsii.
PubMed:The incidence and probable inheritance of smell blindness to normal butyl mercaptan.
 
Notes:
hydrolytic product of merphos. Flavouring agent. Present in beef, Cheshire cheese, raw chicken and cooked potatoes
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