Identification

Namebutyl mercaptan
IUPACbutane-1-thiol
CAS Number109-79-5
EINECS203-705-3
FDA UNII77OY909F30
Molecular FormulaC4 H10 S
Molecular Weight90.18870000
MDL NumberMFCD00004905
Nikkaji NumberJ1.970D
Beilstein1730908
CoE Number526
XlogP32.30 (est)

Regulatory

JECFA Food Flavoring511 1-butanethiol
DG SANTE Food Flavourings12.010 butane-1-thiol
FEMA Number3478
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)109-79-5 ; 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 mmHg @ 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
Similar Items note

Organoleptic Properties

Odor Description
at 0.10 % in propylene glycol.
Sulfureous, fatty, stewed beef, sauteed onion, egg, coffee and garlic
alliaceous (onion, garlic)
Taste Description at 1.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicitygavage-rat LD50 1500 mg/kg
Dermal ToxicityNot determined
Inhalation Toxicityinhalation-rat LC50 4020 ppm/4H

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for butyl mercaptan usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.39 (μg/capita/day)
Structure ClassI
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-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

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Potential Uses

FL beef FL cheese FL egg FL garlic FL onion

Natural Occurrence

beef PMC beer PMC cheese cheddar cheese PMC chicken raw chicken PMC egg boiled egg PMC potato cooked potato turkey raw turkey

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 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.