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Propyl mercaptan

HCID 7848
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Basic information

CAS
107-03-9
Standard SMILES
CCCS
InChIKey
SUVIGLJNEAMWEG-UHFFFAOYSA-N
Molecular formula
C3H8S
Average molar mass
76.16 g/mol
Monoisotopic mass
76.03467126

Overview

Propyl mercaptan appears as a colorless liquid with a strong, offensive odor. Moderately toxic. Flash point below 0 °F. Less dense than water and slightly soluble in water. Hence floats on water. Used as a chemical intermediate and a herbicide.

Names & identifiers

Preferred name
Propyl mercaptan
IUPAC
propane-1-thiol
English name
1-Propanethiol
Molecular formula
C3H8S
Molecular weight
76.16

Names & synonyms

1-PropanethiolPropane-1-thiolPropanethiol107-03-9PROPYL MERCAPTANn-Propyl mercaptann-Propylthioln-Propylmercaptan1-Mercaptopropane1-PropylmercaptanPropylthiol1-Propyl mercaptan
Show more names
NPM3-mercaptopropanoln-C3H7SHFEMA 3521
Thiopropyl alcoholn-Thiopropyl alcohol1-propylthioln-propanethiolFEMA No. 352179869-58-2PropanethiolsCCRIS 1246

Database identifiers

CAS
107-03-9、79869-58-2
PubChem CID
7848
DTXSID
DTXSID5026750
ChEMBL
CHEMBL1236818
ChEBI
CHEBI:8473
UNII
4AB0N08V2H
EC Number
203-455-5
Nikkaji
J4.046K

Properties

Computed structural propertiesFilling in

XLogP
1.8
Topological polar surface area
1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
4
Formal charge
0
Complexity
7.2

Experimental & physicochemical properties

Chemical Classes · 2 items

Other Classes -> Thiols

Flammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation
LogP · 3 items

log Kow = 1.81

1.81

1.7 (estimated)

Odor · 3 items

Offensive

Characteristic odor of cabbage

The headspace composition changed rapidly after the onion cutting-related cell disruption. Propanethial S-oxide (the lachrymatory factor) and breakdown products dominated 0-to-10 minutes after cutting an onion. Propanethiol, dipropyl disulfide, and trace amounts of thiosulfinates then appeared, and the concentrations reached a maximum 60 minutes after cutting. Propanethiol, present at the highest concentrations, has an odor activity value is 20 times higher than dipropyl disulfide, and is suggested to be the main source of the characteristic onion odor.

TasteBELOW 2-3 PPM SWEET ONION & CABBAGE-LIKE FLAVOR
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1512 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

Hazard information

Regulatory Information · 6 items

Chemical: 1-Propanethiol

Regulation (EC) No 1831/2003 (amended)

1-Propanethiol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanethiol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 04-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25232

1-Propanethiol: HSNO Approval: HSR001213 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT Label · 2 items

Flammable Liquid

Flammable Liquid

Fire Hazards · 4 items

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Special Hazards of Combustion Products: Toxic sulfur dioxide is generated. (USCG, 1999)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Heating will cause rise in pressure with risk of bursting. Vapour/air mixtures are explosive.

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 3 items

The enzyme system responsible for conversion of endogenous toxic mercaptans into nontoxic thioether products via methylation, ie, alkane thiol s-methyltransferase is located in endoplasmic reticulum and can be extracted through detergent solubilization. /Mercaptans/

...May directly be oxidized and readily excreted as propane sulfate. Propylmercaptan binds to microsomal cytochrome P-450 in vitro and inhibits carbonic anhydrase. ... Completely inhibits formation of sclerotium in Sclerotimus rolfsii. Propylmercaptan can be degraded by enzymatic action of liver microsomes.

Simple aliphatic and aromatic thiols undergo S-methylation in mammals to produce the corresponding methyl thioether or sulfide. Methylation is catalysed by thiopurine methyltransferase in the cytoplasm and thiol methyltransferase in microsomes, and both reactions require S-adenosyl-l-methionine as a methyl group donor. Thiopurine methyltransferase is present in human liver, kidney, and erythrocytes; preferential substrates for this enzyme include aromatic and heterocyclic thiols. S-Methylation of aliphatic thiols is catalysed by microsomal thiol methyltransferase, and the resulting methyl thioether (sulfide) metabolite would undergo S-oxidation to give the methyl sulfoxide and methyl sulfone analogues as urinary products. Thiols may react with glutathione and other endogenous thiol substances to form mixed disulfides. Both microsomal and cytoplasmic thioltransferasess have been reported to catalyse the formation of mixed disulfides. The resulting mixed disulfides can undergo reduction back to thiols, oxidative desulfuration, or oxidation to a sulfonic acid via the intermediate thiosulfinate and sulfinic acids. The principal form in the circulation would probably be a mixed disulfide formed with albumin. /Simple thiols/

Cellular LocationsCytoplasm

Uses & manufacturing

Uses · 4 items

Used as a synthetic flavoring agent, and as an odorant of odorless, toxic gases; as a fungicide or as fungicidal component. [HSDB]

Synthetic flavoring agent

Chemical intermediate; herbicide

Synthetic chemical reactions; as an odorant of odorless, toxic gases; as a fungicide or as fungicidal component.

Related reactions

253 records
New reaction record
HRID 5679 reaction equation
HRID 5679As reactantuspto-grants-1993_09
HRID 25291 reaction equation
HRID 25291As reactantuspto-grants-2005_02
HRID 25761 reaction equation
HRID 25761As solventuspto-grants-2005_02
HRID 35432 reaction equation
HRID 35432As reactantuspto-grants-1988_08
HRID 35475 reaction equation
HRID 35475As reactantuspto-grants-1988_08
HRID 35691 reaction equation
HRID 35691As reactantuspto-grants-1988_08
HRID 36368 reaction equation
HRID 36368As reactantuspto-grants-1995_05
HRID 37613 reaction equation
HRID 37613As reactantuspto-grants-1995_05
Page 1 of 32

Compound notes

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Density · 6 items

0.841 at 68 °F (USCG, 1999) - Less dense than water; will float

0.843 g/cu cm at 20 °C

Relative density (water = 1): 0.84

0.842-0.847

0.8411 @ 20°C

0.84

Flavoring AgentsEU Flavoring substances
Color/Form · 2 items

COLORLESS, MOBILE LIQUID

Colorless liquid

Solubility · 6 items

Slight (NIOSH, 2024)

Miscible in ethanol, ether; very soluble in acetone

SOL IN PROPYLENE GLYCOL

Soluble in ethanol, ether, acetone, benzene

In water, 1.90X10+3 mg/L at 25 °C

1.9 mg/mL at 25 °C

Flash Point · 5 items

5 °F (USCG, 1999)

-20 °C

-5 °F; -20.5 °C

-20 °C

-5 °F

Boiling Point · 6 items

153 °F at 760 mmHg (USCG, 1999)

67.8 °C

67.00 to 68.00 °C. @ 760.00 mm Hg

68 °C

67-68 °C

153 °F

Physicochemical properties

Melting point
-113 °C · -113 °C
Boiling point
67 · 67-68 °C(lit.)
Density
0.841 g/mL · 0.841 g/mL at 25 °C(lit.)
vapor density
2.54 · 2.54 (vs air)
vapor pressure
122 mm · 122 mm Hg ( 20 °C)
refractive index
20 · n20/D 1.437(lit.)
FEMA
3521 · 3521 | PROPANETHIOL
FLAVIS Number
12.071 · 12.071 | 1-Propane-1-thiol
Flash point
5 °F · −5 °F
storage temp.
30 °C · Store below +30°C.
solubility
1.9 g/l · 1.9g/l
form
Liquid
pka
1 · pK1:10.86 (25°C)
color
Colorless
Odor
0.1 % · at 0.10 % in propylene glycol. cabbage natural gas sweet onion
Odor Type
alliaceous
biological source
synthetic
Odor Threshold
0.000013 ppm · 0.000013ppm
Water Solubility
immiscible
Specific Heat Capacity
1.9 J/ · Cp(liquid): 1.9 J/(g·K), at 25℃
Sensitive
Air Sensitive
JECFA Number
509 · 509
BRN
1696860 · 1696860
Henry's Law Constant
1.7 · 1.7×10-3 mol/(m3Pa) at 25℃, Plyasunova et al. (2004)
Exposure limits
0.5 ppm · NIOSH: Ceiling 0.5 ppm(1.6 mg/m3)
InChI
1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKey
SUVIGLJNEAMWEG-UHFFFAOYSA-N
SMILES
CCCS
LogP
1.7 at · 1.7 at 20℃
CAS DataBase Reference
107 · 107-03-9(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS)
PROPYL MERCAPTAN
FDA 21 CFR
172.515 · 172.515
EWG's Food Scores
1 · 1
FDA UNII
4 AB0N08V2H · 4AB0N08V2H
NIST Chemistry Reference
1 · 1-Propanethiol(107-03-9)
EPA Substance Registry System
1 · 1-Propanethiol (107-03-9)
UNSPSC Code
12352200 · 12352200
NACRES
24 · NA.24
Symbol(GHS)
2 · GHS02,GHS07,GHS09
Signal word
Danger
Hazard statements
302 · H302-H333-H315-H319-H335-H410-H225
Precautionary statements
501 · P501-P261-P273-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P403+P235-P405
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
F,Xn,N
Risk Statements
11 · 11-22-37/38-41-50-36/37/38-21/22
Safety Statements
16 · 16-26-39-57-36/37/39-29
OEL
0.5 ppm · Ceiling: 0.5 ppm (1.6 mg/m3) [15-minute]
RIDADR
2402 · UN 2402 (PROPANETHIOLS)
WGK Germany
3 · 3
RTECS
7300000 · TZ7300000
F
13 · 13
TSCA
TSCA listed
HazardClass
3 · 3
PackingGroup
II
HS Code
29309070 · 29309070
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Flam. Liq. 2Skin Sens. 1B
Hazardous Substances Data
107 · 107-03-9(Hazardous Substances Data)
Toxicity
50 orally · LD50 orally in Rabbit: 1790 mg/kg
REACH Registrations
Active
Limited Quantities
1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Fire PotentialVery dangerous fire hazard.
Health Hazards · 3 items

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Inhalation causes muscular weakness, convulsions, and respiratory paralysis; high concentrations may cause pulmonary irritation. Contact with liquid causes irritation of eyes and skin. Ingestion causes irritation of mouth and stomach. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryA skin, eye, and respiratory tract irritant; Odor is obnoxious and can cause headache and nausea; Inhalation of high concentrations can produce tachycardia, cyanosis, respiratory paralysis, and unconsciousness; [HSDB] See THIOLS;
DOT ID and Guide · 2 items

2402 130

2402 130

FDA Requirements · 1 item

Propyl mercaptan is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

Reactive Group · 2 items

Sulfides, Organic

Sulfides, Organic

UN ClassificationUN Hazard Class: 3; UN Pack Group: II
Reactivity Alerts · 2 items

Highly Flammable

Highly Flammable

Reactivity Profile · 2 items

PROPANETHIOLS are flammable, moderately toxic liquid, stench. Explosive in the form of vapor when exposed to heat, flame or sparks. When heated to decomposition it emits toxic fumes of oxides of sulfur. Violent reaction and flash fire on contact with calcium hypochlorite [Stephenson, F. G., Chem. Eng. News, 1973, 51(26), p. 14].

PROPYL MERCAPTAN emits toxic fumes of oxides of sulfur when heated to decomposition. Reacts violently on contact with calcium hypochlorite [Chem. Eng. News, 1973, 51(26), p. 14].

Safety & protection

Fire Fighting · 3 items

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Use powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 items

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 4 items

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Excerpt from NIOSH Pocket Guide for 1-Propanethiol:

General First Aid:

(General first aid procedures)

Safe StorageFireproof. Cool. Keep in a well-ventilated room. Separated from strong oxidants, strong bases and strong acids.
Firefighting HazardsFlashback along vapor trail may occur.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting ProceduresDry chemical, foam, carbon dioxide. Water may be ineffective.
Nonfire Spill Response · 2 items

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Disposal Methods · 3 items

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Ethyl mercaptan is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration (2,000 °F) followed by scrubbing with a caustic solution. /Ethyl mercaptan/

Incineration ... : Incinerate scrap material under controlled conditions using afterburner and a scrubber to neutralize sulfur dioxide ... . /Ethyl mercaptan/

Spillage Disposal · 1 item

Remove all ignition sources. Evacuate danger area! Consult an expert! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Preventive Measures · 5 items

Work clothing that becomes wet should be immediately removed due to its flammability hazard.

Open flames and other ignition sources should be excluded from areas where thiols, especially the more volatile ones, are used. Emergency procedures and routine work practices should emphasize proper handling, containment of spills... The primary purpose of control measures is to reduce the potential for inhalation or skin contact with thiols, with special emphasis on the eyes. Whenever feasible, control at the source of exposure should be implemented. This may involve enclosure of the operation and/or the use of local exhaust ventilation. /Thiols/

Safety showers, eye wash fountains and fire extinguishers should be located in areas where appreciable amounts of thiols are used. Handwashing facilities, soap and water, should be made available to involved employees. /Thiols/

Clothing which is contaminated with ethyl mercaptan should be removed immediately and placed in closed containers for storage until it can be discarded or until provision is made for the removal of ethylmercaptan from the clothing. If the clothing is to be laundered or cleaned, the person performing the operation should be informed of ethyl mercaptan's hazardous properties. /Ethyl mercaptan/

For more Preventive Measures (Complete) data for PROPYL MERCAPTAN (12 total), please visit the HSDB record page.

Toxicology

Interactions · 1 item

Cysteine, 2-propanethiol, and 2-mercaptoethylamine were found to potentiate the action of bradykinin on the rat blood pressure. These same thiols were ineffective on the in vitro rat ileum, although on the guinea pig ileum only 2-propanethiol was observed to be ineffective.

Target OrgansEyes, skin, respiratory system, central nervous system, blood, liver, kidneys
Ecotoxicity ValuesLC50 Daphnia magna (Water flea) 60 ug/L/48 hr; static /formulated product/
Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 230(SRC), determined from a log Kow of 1.81(2) and a regression-derived equation(3), indicates that propyl mercaptan is expected to have moderate mobility in soil(SRC). Volatilization of propyl mercaptan from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 4.08X10-3 atm-cu m/mole(4). Propyl mercaptan is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 154 mm Hg(5). Slow bio-oxidation using a Warburg respirometer with Alcaligenes faecalis(6) suggests that biodegradation is not an important environmental fate process.

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 230(SRC), determined from a log Kow of 1.81(2) and a regression-derived equation(3), indicates that propyl mercaptan is expected to adsorb moderately to suspended solids and sediment(SRC). Volatilization from water surfaces is expected to be an important environmental fate process(3) based upon a Henry's Law constant of 4.08X10-3 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2.6 hours and 3.5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 5(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). The concentration of propyl mercaptan decreased over a distance of 0 to 54 meters using lysimeters to simulate dump leachate movement in groundwater indicating biotic degradation in soil(7); however, slow biooxidation using a Warburg test(8) suggests that biodegradation not an important environmental fate process(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), propyl mercaptan, which has an extrapolated vapor pressure of 154 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase propyl mercaptan is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 8 hours(SRC), calculated from its rate constant of 4.83X10-11 cu cm/molecule-sec at 25 °C(3). Propyl mercaptan does not absorb light at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight.

Food Survey ValuesPropyl mercaptan was qualitatively detected in the volatile components of raw chicken breast muscle(1). It was also detected not quantified as a beef volatile component(2).
Adverse EffectsOther Poison - Chemical Asphyxiant
Exposure Routes · 2 items

The substance can be absorbed into the body by inhalation and by ingestion.

inhalation, ingestion, skin and/or eye contact

Plant ConcentrationsPropyl mercaptan has been identified in the volatile products of freshly crushed onion and related plant bulbs(1).
Signs and Symptoms · 5 items

Cough. Drowsiness. Dizziness. Headache. Nausea.

Redness.

Redness. Pain.

See Inhalation.

irritation eyes, skin, nose, throat, respiratory system; headache, nausea, dizziness, cyanosis; In Animals: liver, kidney damage

Effluent Concentrations · 1 item

Propyl mercaptan was qualitatively detected in exhaust gases collected from the sulfate and semi-alkaline pulping processes of a Finish pulp mill(1). The compound was identified as a component of landfill gas collected from domestic waste disposal sites in Augsbach and Munich, Germany but not sewage gas collected from treatment plants in Munich, Germany(2).

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.
Medical Surveillance · 1 item

Prior to placing a worker in a job with a potential for exposure to ethyl mercaptan, the physician should evaluate and document the worker's baseline health status with thorough medical, environmental, and occupational histories, a physical examination, and physiologic and laboratory tests appropriate for the anticipated occupational risk. These should concentrate on the function and integrity of the nervous and respiratory systems. Medical surveillance for respiratory disease should be conducted by using the principles and methods recommended by NIOSH and the American Thoracic Society (ATS). A preplacement medical evaluation is recommended in order to detect and assess preexisting or concurrent conditions which may be aggravated or result in increased risk when a worker is exposed to n-butyl mercaptan at or below the NIOSH REL. The examining physician should consider the probable frequency, intensity, and duration of exposure, as well as the nature and degree of the condition, in placing such a worker. Such conditions, which should not be regarded as absolute contraindications to job placement, include chronic diseases of the respiratory system. /Ethyl mercaptan/

Regulatory information

FDA Requirements · 1 item

Propyl mercaptan is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

Safety data

F
13
OEL
Ceiling: 0.5 ppm (1.6 mg/m3) [15-minute]
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
TZ7300000
ridadr
UN 2402 (PROPANETHIOLS)
hs_code
29309070
Toxicity
LD50 orally in Rabbit: 1790 mg/kg
risk_code
11-22-37/38-41-50-36/37/38-21/22
Signal word
Danger
Symbol(GHS)
GHS02,GHS07,GHS09
hazard_code
F,Xn,N
safety_code
16-26-39-57-36/37/39-29
hazard_class
3
Storage Class
3 - Flammable liquids
packing_group
II
Hazard statements
H302-H333-H315-H319-H335-H410-H225
Limited Quantities
1.0 L (0.3 gallon) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations
Active
Hazard Classifications
Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Flam. Liq. 2Skin Sens. 1B
Precautionary statements
P501-P261-P273-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P403+P235-P405
Hazardous Substances Data
107-03-9(Hazardous Substances Data)
U.S. Production · 3 items

2023: 1,000,000 - <8,500,000 lb

1-Propanethiol is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

(1991) Exceeded 5000 lb

Consumer UsesFragrance
Industry UsesFragrance
Methods of Manufacturing · 2 items

/It is prepared/ by reacting propyl alcohol & hydrogen sulfide ... Sabatier et al, Compt Rend Seanc Acad Sci (paris), 150: 1219, 1910; from propyl alcohol or propyl disulfide & naphthalene ... Mereshkoski, Chem Zentrabl, 86, 982, 1915; Faragher et al, Chem Zentralbl, 99, 119, 1928; from n-propyl chloride & potassium hydrosulfide; also from n-propanol plus bromine plus red phosphorus in presence of sodium sulfate.

Thiols can be prepared by a variety of methods. The most-utilized of these synthetic methods for tertiary and secondary thiols is acid-catalyzed synthesis; for normal and secondary thiols, the most-utilized methods are free-radical-initiated, alcohol substitution, or halide substitution; for mercaptoalcohols, the most-utilized method is oxirane addition; and for mercaptoacids and mercaptonitriles, the most-utilized methods are Michael-type additions. /Thiols/

Formulations/PreparationsGrade: 95%
Use Classification · 4 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 items

Utilities

1-Propanethiol: ACTIVE

Applications · 6 items

DescriptionPropane thiol is an organic compound with the molecular formula C3H8S. It belongs to the group of thiols. It is a colorless liquid with a strong, offensive odor. It is moderately toxic and is less dense than water and slightly soluble in water. It is used as a chemical intermediate and a herbicide . It is highly flammable and it gives off irritating or toxic fumes (or gases) in a fire. Heating it will cause rise in pressure with risk of bursting.

OccurrenceReported found in onion (Allium cepa L.), garlic, shallot, roasted onion, raw leek, heated leek, chive, cooked chicken, beef, beer, American potato chips and durian (Durio zibethinus).

Uses1-Propanethiol, is used widely in research areas. This compound has a wide range of applications including cell biology, materials science, nanoscience, self-assembled monolayers (SAMs), nanoelectronics, and contact printing. It is also used as a chemical intermediate.

Uses1-PP can be used as a capping agent that improves the thermal stability and light absorption of silver nanoparticles (AgNPs), which can be incorporated into the perovskite solar cells. Gallium-arsenic (Ga-As) can be surface functionalized with 1-PP and can be potentially used in the fabrication of group VI precusors and self-assembled electron beam resists in semiconductor industry. It can also form a SAM on gold(111) surface that may be used to immobilize macromolecules.

UsesChemical intermediate, herbicide.

General DescriptionA colorless liquid with a strong, offensive odor. Moderately toxic. Flash point below 0°F. Less dense than water and slightly soluble in water. Hence floats on water. Used as a chemical intermediate and a herbicide.

Preparation methods · 1 item

PreparationBy reacting propyl alcohol and H2S under particular conditions; from propyl alcohol or propyl disulfide and naphthalene; from n-propyl chloride and potassium hydrosulfide; also from n-propanol plus bromine plus red phosphorus in the presence of sodium sulfate.

Upstream & downstream products

Upstream raw materials

Hydrogen SulfideMethanol solutiondilute sulphuric acidCalcium chlorideWater1-BromopropaneSodium hydrosulfideThiourea

Downstream products

EthoprophosAlbendazoleCADUSAFOSpropyl dichlorodithiophosphateSULPROFOSVERNOLATEWL 1084771-Propanesulphonylacetonitrile1-Propanesulfinic acid6-Bromo-3,4-methylenedioxybenzoic acid1-Propanesulfonic acid1,2-DibromohexafluoropropaneS-n-Propyl thioacetate2-[[(3aS,4R,6S,6aR)-4-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol2-(propylthio)ethanamine(SALTDATA: HCl)

Additional notes

DefinitionChEBI: An alkanethiol that is propane substituted by a thiol group at position 1.