Identification

Namepropyl mercaptan
IUPACpropane-1-thiol
CAS Number107-03-9
EINECS203-455-5
FDA UNII4AB0N08V2H
Molecular FormulaC3 H8 S
Molecular Weight76.16176000
MDL NumberMFCD00004900
Nikkaji NumberJ4.046K
Beilstein1696860
CoE Number11816
XlogP31.80 (est)

Regulatory

JECFA Food Flavoring509 propanethiol
DG SANTE Food Flavourings12.071 propane-1-thiol
FEMA Number3521
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)107-03-9 ; PROPYL MERCAPTAN
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.84200 to 0.84700 @ 25.00 °C.
Pounds per Gallon - (est). 7.006 to 7.048
Refractive Index 1.43600 to 1.43900 @ 20.00 °C.
Melting Point -113.00 to -111.00 °C. @ 760.00 mm Hg
Boiling Point 67.00 to 68.00 °C. @ 760.00 mm Hg
Vapor Pressure 155.584000 mmHg @ 25.00 °C. (est)
Vapor Density 2.54 ( Air = 1 )
Flash Point -4.00 °F. TCC ( -20.00 °C. )
logP (o/w) 1.810
Soluble in alcohol
Insoluble in water
Similar Items note

Organoleptic Properties

Odor Strength very high ,
Substantivity 8 hour(s) at 100.00 %
Odor Description at 0.10 % in propylene glycol.
Taste Description alliaceous fresh meaty onion sulfurous

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicitygavage-rat LD50 1790 mg/kg
Dermal ToxicityNot determined
Inhalation Toxicityinhalation-rat LC50 7300 ppm/4H

GHS Classification

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

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Maximised Survey-derived Daily Intakes (MSDI-EU)2.20 (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 cabbage FL onion

Natural Occurrence

bean black bean seed bean field bean bean green bean seed beef PMC beer PMC chicken cooked chicken PMC durian fruit leek wild leek onion onion bulb pea potato potato chip PMC potato plant

Synonyms

mercaptan C3 1- mercaptopropane NPM propane thiol 1- propane thiol propane-1-thiol propanethiol 1- propanethiol N- propanethiol propanethiol natural 1- propyl mercaptan N- propyl mercaptan propyl mercaptan natural propyl thiol propylthiol N- propylthiol N- thiopropyl alcohol PubMed: Solid phase extraction of trace amounts of silver, cadmium, copper, mercury, and lead in various food samples based on ethylene glycol bis-mercaptoacetate modified 3-(trimethoxysilyl)-1-propanethiol coated Fe3O4 nanoparticles. PubMed: Magnetic nanoparticles solid phase extraction for determination of ochratoxin A in cereals using high-performance liquid chromatography with fluorescence detection. PubMed: Identification of muscadine wine sulfur volatiles: pectinase versus skin-contact maceration. PubMed: Novel approach for the determination of volatile compounds in processed onion by headspace gas chromatography-mass spectrometry (HS GC-MS). PubMed: Removal of mercaptans from a gas stream using continuous adsorption-regeneration. PubMed: Aqueous photoreduction of oxidized mercury species in presence of selected alkanethiols. PubMed: Direct electrochemistry of hemoglobin adsorbed on self-assembled monolayers with different head groups or chain length. PubMed: Nucleophilic reactivity of thiolate, hydroxide and phenolate ions towards a model O-arylated diazeniumdiolate prodrug in aqueous and cationic surfactant media. PubMed: ZnO nanorod array solid phase micro-extraction fiber coating: fabrication and extraction capability. PubMed: Density functional characterization of adsorption and decomposition of 1-propanethiol on the Ga-rich GaAs (001) surface. PubMed: A molecular dynamics study on heat transfer characteristics at the interfaces of alkanethiolate self-assembled monolayer and organic solvent. PubMed: Kinetic and theoretical study of the reaction of Cl atoms with a series of linear thiols. PubMed: Companion animals as sentinels for community exposure to industrial chemicals: the Fairburn, GA, propyl mercaptan case study. PubMed: Chemical analysis of polycyclic aromatic hydrocarbons by surface-enhanced Raman spectroscopy. 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: Disposition and metabolism of dipropyl disulphide in vivo in rat. PubMed: [Determination and distribution of sulfur compounds in coked gasoline by gas chromatography-sulfur chemiluminescence detection]. PubMed: Ruminal fermentation of propylene glycol and glycerol. PubMed: Targeting the cerebrovascular large neutral amino acid transporter (LAT1) isoform using a novel disulfide-based brain drug delivery system. PubMed: Assembly dynamics and detailed structure of 1-propanethiol monolayers on Au(111) surfaces observed real time by in situ STM. PubMed: Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene. PubMed: A comparative kinetic study of modified Pt(dppf)Cl2 complexes and their interactions with L-cys and L-met. PubMed: Determination of organoarsenic warfare agents in sediment samples from Skagerrak by gas chromatography-mass spectrometry. PubMed: Surface reactions of 1-propanethiol on GaAs(100). PubMed: On-column derivatization-capillary electrochromatography with o-phthalaldehyde/alkylthiol for assay of biogenic amines. PubMed: Effects of various thiol molecules added on morphology of dendrimer-gold nanocomposites. PubMed: Electroencephalographic changes during intravenous olfactory stimulation in humans. PubMed: Molar Refractivity and Connectivity Index Correlations for Henry's Law Virial Coefficients of Odorous Sulfur Compounds on Carbon and for Gas-Chromatographic Retention Indices. PubMed: Cloning and characterization of a bifunctional leukotriene A(4) hydrolase from Saccharomyces cerevisiae. PubMed: Chemisorption on Thiol-Silicas: Divalent Cations as a Function of pH and Primary Amines on Thiol-Mercury Adsorbed PubMed: Investigation of the inhibition of leukotriene A4 hydrolase. PubMed: Somatostatin depleting potency of cysteamine-related thiols and amines in the rat: structure-activity relation. PubMed: Acute health effects from community exposure to N-propyl mercaptan from an ethoprop (Mocap)-treated potato field in Siskiyou County, California. PubMed: Acute health effects from community exposure to N-propyl mercaptan from an ethoprop (Mocap)-treated potato field in Siskiyou County, California. PubMed: Spectroscopic detection of iminocyclophosphamide and its possible role in cyclophosphamide metabolism. PubMed: Reactions of mercaptans with cytochrome c oxidase and cytochrome c. PubMed: Magnetic circular dichroism of ferrous carbonyl adducts of cytochromes P-450 and P-420 and their synthetic models: further evidence for mercaptide as the fifth ligand to iron. PubMed: Specific inhibition of sclerotium formation by 2-mercaptoethanol and related sulfhydryl compounds in Sclerotium rolfsii. PubMed: Titrimetric determination of mercaptans with chloramine-T.