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

propyl mercaptan
propanethiol

Sponsors

Flavor Demo Formulas
Name:propane-1-thiol
CAS Number: 107-03-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-455-5
FDA UNII:4AB0N08V2H
Nikkaji Web:J4.046K
Beilstein Number:1696860
MDL:MFCD00004900
CoE Number:11816
XlogP3:1.80 (est)
Molecular Weight:76.16176000
Formula:C3 H8 S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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:509 propanethiol
FLAVIS Number:12.071 (Old)
DG SANTE Food Flavourings:12.071 propane-1-thiol
FEMA Number:3521 propanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: PROPYL MERCAPTAN
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
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 mm/Hg @ 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
 oils
 propylene glycol
 water, 3780 mg/L @ 25 °C (est)
 water, 1900 mg/L @ 25 °C (exp)
Insoluble in:
 water
Similar Items:note
allyl mercaptan
amyl mercaptan
isoamyl mercaptan
sec-amyl mercaptan
tert-amyl mercaptan
benzyl mercaptan
buchu mercaptan
butyl 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
isopropyl mercaptan
2-thienyl mercaptan
3-thienyl mercaptan
tridecyl mercaptan
undecyl mercaptan
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:very high ,
recommend smelling in a 0.01 % solution or less
Substantivity:8 hour(s) at 100.00 %
cabbage gassy sweet onion
Odor Description:at 0.10 % in propylene glycol. cabbage natural gas sweet onion
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
PROPYL MERCAPTAN SYNTHETIC
Beijing Lys Chemicals
1-Propanethiol
Blue Marble Biomaterials
Propanethiol Natural
Kosher,Food Grade, 98%
Charkit Chemical
PROPYL MERCAPTAN
Chevron Phillips
n-Propyl Mercaptan
DeLong Chemicals America
Propanethiol
FCI SAS
PROPYL MERCAPTAN
Odor: Onion
Jinan Enlighten Chemical Technology(Wutong Aroma )
Propane-1-thiol, Kosherk
Natural Advantage
Propyl Mercaptan Nat
Penta International
PROPYL MERCAPTAN NATURAL, Kosher
Penta International
PROPYL MERCAPTAN, Kosher
Prodasynth
PROPYL MERCAPTAN >98%
Santa Cruz Biotechnology
For experimental / research use only.
1-Propanethiol
Sigma-Aldrich
1-Propanethiol, natural, ≥98%, FG
Certified Food Grade Products
Sigma-Aldrich
Propyl mercaptan, ≥98%
Odor: vegetable; sulfurous; alliaceous (onion, garlic)
Synerzine
1-Propyl Mercaptan
TCI AMERICA
For experimental / research use only.
1-Propanethiol >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Propyl Mercaptan
Tengzhou Xiang Yuan Aroma Chemicals
Propanethiol
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 11 - Highly flammable.
R 22 - Harmful if swallowed.
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to eyes.
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 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 33 - Take precautionary measures against static discharge.
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 1790 mg/kg
(Fairchild & Stokinger, 1958)

intraperitoneal-rat LD50 515 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.

gavage-rat LD50 134 mg/kg
Referred to as 3-mercapto-1-propanol in reference
(Elf Atochem, 1981b)

oral-rat LD50 1790 mg/kg
BEHAVIORAL: COMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC50 7300 ppm/4H
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

inhalation-mouse LC50 4010 ppm/4H
SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

 
Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.20 (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: -0.92900
beverages(nonalcoholic): -1.00000
beverages(alcoholic): -1.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -1.25000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: -2.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -2.20000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -3.00000
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

Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):107-03-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7848
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2402
WGK Germany:3
propane-1-thiol
Chemidplus:0000107039
EPA/NOAA CAMEO:hazardous materials
RTECS:107-03-9
 
References:
 propane-1-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:107-03-9
Pubchem (cid):7848
Pubchem (sid):134972244
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C08390
HMDB (The Human Metabolome Database):HMDB34238
FooDB:FDB012550
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:Propanethiol
Formulations/Preparations:
grade: 95%
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
cheesy
S-(
methyl thio) butyrate
FL/FR
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
creamy
2,3-
butane diol
FR
fruity
2-
methyl-2-pentenal
FL/FR
herbal
(E)-2-
dodecenal
FL/FR
meaty
meaty dithiane
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ferula assa-foetida absolute
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
methyl mercaptan
FL/FR
3-(
methyl thio) hexanol
FL/FR
onion oil
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
For Flavor
No flavor group found for these
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl disulfide
FL
allyl propyl sulfide
FL
allyl propyl trisulfide
FL
iso
amyl mercaptan
FL
sec-
amyl mercaptan
FL
diethyl trisulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
dipropyl sulfide
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
heptyl mercaptan
FL
3-
mercapto-2-methyl pentanol
FL
mercaptoacetaldehyde
FL
4-(
methyl thio) butanol
FL
2-(
methyl thio) methyl-2-butenal
FL
4-
methyl thiobutyl isothiocyanate
FL
5-
methyl thiopentyl isothiocyanate
FL
2-
methyl-1-butanol
FL/FR
2-
methyl-5-methoxythiazole
FL
propenyl propyl disulfide
FL
iso
propyl disulfide
FL
tetrahydrothiophene
FL
2,3,5-
trithiahexane
FL
S-
tropical 2-thiobutyrate
FL/FR
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
diethyl disulfide
FL
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
3-
mercapto-2-pentanone
FL
methyl 3-mercaptobutanoate
FL
2-
methyl thioacetaldehyde
FL
cabbage
methyl 2-thiofuroate
FL
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
eggy
iso
propyl mercaptan
FL
fruity
methionyl butyrate
FL
2-
methyl-2-pentenal
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
meaty dithiane
FL/FR
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
pyrazinyl ethane thiol
FL
ortho-
thiocresol
FL
metallic
3-(
methyl thio) hexanol
FL/FR
musty
2-
methyl 5-(methyl thio) furan
FL/FR
S-(
methyl thio) butyrate
FL/FR
onion
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
seafood
1,4-
dithiane
FL
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
diallyl trisulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl 4-(methyl thio) butyrate
FL
methyl benzyl disulfide
FL
methyl mercaptan
FL/FR
methyl thiomethyl butyrate
FL
onion oil
FL/FR
onion oleoresin
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
waxy
(E)-2-
dodecenal
FL/FR
 
Potential Uses:
FLcabbage
FLonion
 
Occurrence (nature, food, other):note
 bean black bean seed
Search Trop Picture
 bean field bean
Search Trop Picture
 bean green bean seed
Search Trop Picture
 beef
Search PMC Picture
 beer
Search PMC Picture
 chicken cooked chicken
Search PMC Picture
 durian fruit
Search Trop Picture
 leek wild leek
Search Trop Picture
 onion
Search Trop Picture
 onion bulb
Search Trop Picture
 pea
Search Trop Picture
 potato
Search Trop Picture
 potato chip
Search PMC Picture
 potato plant
Search Trop Picture
 
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
 

Articles:

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.
 
Notes:
Isol. from onion (Allium cepa) and other Allium ssp. Also present in cooked chicken, beef, beer, American potato chips and durian (Durio zibethinus)
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