Propyne

HCID 6335

Basic information

CAS
74-99-7
Standard SMILES
C#CC
InChIKey
MWWATHDPGQKSAR-UHFFFAOYSA-N
Molecular formula
C3H4
Average molar mass
40.06 g/mol
Monoisotopic mass
40.03130013

Overview

1-propyne appears as a colorless liquefied gas with a sweet odor. mp: -104 °C, bp: -23.1 °C. Insoluble in water, soluble in ethanol, chloroform and benzene. Moderately toxic by inhalation. Used as a specialty fuel. Denser than air. Vapors may ignite at distant sources of ignition and flash back.

Names & identifiers

Preferred name
Propyne
IUPAC
prop-1-yne
English name
Propyne
Molecular formula
C3H4
Molecular weight
40.06

Names & synonyms

PropyneMethylacetyleneprop-1-yne1-PROPYNEAllylene74-99-7Methyl acetyleneAcetylene, methyl-086L40ET1BDTXSID0026387CHEBI:48086RefChem:6178
Show more names
Propine2-PropyneCH3CequivCHPropyne 96%Propyne,95%
DTXCID406387200-828-4METHYLACETYLENE-D1MFCD000362357299-37-8Propyne, ca. 4% in N,N-Dimethylformamide, ca. 1.0mol/LPropynylidyneAllylene; Methylacetylene; Propine

Database identifiers

CAS
74-99-7
PubChem CID
6335
DTXSID
DTXSID0026387
ChEMBL
CHEMBL116902
ChEBI
CHEBI:48086
UNII
086L40ET1B
EC Number
200-828-4
Nikkaji
J1.434F、J808.214F

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
3

Experimental & physicochemical properties

Chemical Classes · 2 items

Other Classes -> Aliphatics, Unsaturated

Flammable agents - 4th degree

SpringerMaterials PropertiesDunham energy parameter
LogPlog Kow = 0.94
OdorSweet odor
Density · 5 items

0.607 at 25 °C/4 °C

Density (liquid) at 250 deg K = 0.671 g/ cu m

Relative density (water = 1): 0.70

.607 (p> 1 atm)

1.41(relative gas density)

Viscositygas at 298 deg K: 8.4X10-3 mPa-s; liquid at 233 deg K: 0.26 mPa-s

Physicochemical properties

Melting point
-102.7 °C · -102.7 °C (lit.)
Boiling point
-23.2 °C · -23.2 °C (lit.)
Density
0.607 · 0.6070
vapor pressure
204.6 mm · 204.6 mm Hg ( −49.5 °C)
refractive index
1.3863 · 1.3863
Flash point
-51 °C · -51 °C

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H220 (98.8%): Extremely flammable gas [Danger Flammable gases]

P203, P210, P222, P261, P271, P280, P304+P340, P319, P377, P381, P403, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 346 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H220: Extremely flammable gas [Danger Flammable gases]

Hazard information

Regulatory Information · 5 items

Chemical: 1-Propyne

1-Propyne is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propyne 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: 19-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24875

Methyl acetylene: HSNO Approval: HSR003018 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.)

Other Safety InformationIMAP assessments - 1-Propyne: Human health tier I assessment
DOT LabelFlammable Gas
Fire Hazards · 2 items

Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:

Extremely flammable. Gas/air mixtures are explosive.

Fire Potential · 3 items

Dangerous, when exposed to heat or flame

Induced decomposition of the endothermic hydrocarbon leads to flame propagation in absence of air above minimum pressures of 3.4 and 2.1 bar at 20 and 120 °C, respectively.

The gas is heavier than air and may travel along the ground; distant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated.

Health HazardsExcerpt from NIOSH Pocket Guide for Methyl acetylene:

Safety & protection

Fire Fighting · 2 items

Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:

Shut off supply; if not possible and no risk to surroundings, let the fire burn itself out. In other cases extinguish with water spray. In case of fire: keep cylinder cool by spraying with water. Combat fire from a sheltered position.

First Aid Measures · 3 items

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

ON FROSTBITE: rinse with plenty of water, do NOT remove clothes.

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

First Aid · 2 items

Excerpt from NIOSH Pocket Guide for Methyl acetylene:

(General first aid procedures)

Safe StorageFireproof. Cool.
Firefighting Hazards · 2 items

On loss of containment this gas can cause suffocation by lowering the oxygen content of the air in confined areas.

The gas is heavier than air and may travel along the ground; distant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated.

Fire Fighting Procedures · 2 items

Shut off supply; if not possible and no risk to surroundings, let the fire burn itself out; in other cases extinguish with water spray ... Keep cylinder cool by spraying with water. Combat fire from a sheltered position.

To fight fire, stop the flow of gas.

Toxicology

Body Burden1-Propyne has been detected in the human respiratory air at 0.81 ug/hr in a non-smoker and at 1.1 and 2.3 ug/hr in two smokers(1).
Target Organsrespiratory system, central nervous system
Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 77(SRC), determined from a log Kow of 0.94(2) and a regression-derived equation(3), indicates that 1-propyne is expected to have high mobility in soil(SRC). Volatilization of 1-propyne from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.011 atm-cu m/mole(SRC), derived from its vapor pressure, 4.31X10+3 mm Hg(4), and water solubility, 3,640 mg/L(5). 1-Propyne is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). 1-Propyne readily volatilizes from dry and moist soil surfaces. 1-Propyne volatilizes readily from water and moist soil surfaces; therefore, biodegradation studies in these environments are difficult(SRC). Biodegradation studies in soil were not located(SRC, 2006).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 77(SRC), determined from a log Kow of 0.94(2) and a regression-derived equation(3), indicates that 1-propyne is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.011 atm-cu m/mole(SRC) derived from its vapor pressure, 4.31X10+3 mm Hg(4), and water solubility, 3,640 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 41 min and 2.5 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 1-Propyne volatilizes readily from water and moist soil surfaces; therefore, biodegradation studies in these environments are difficult(SRC). Biodegradation studies in water were not located(SRC, 2006).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-propyne, which has a vapor pressure of 4.31X10+3 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase 1-propyne 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 2.7 days(SRC), calculated from its rate constant of 5.9X10-12 cu cm/molecule-sec at 25 °C(3). 1-Propyne does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 2 items

The substance can be absorbed into the body by inhalation.

inhalation, skin and/or eye contact (liquid)

Signs and Symptoms · 3 items

Dizziness. Headache. Nausea. Unconsciousness.

ON CONTACT WITH LIQUID: FROSTBITE.

irritation respiratory system; tremor, hyperexcitability, anesthesia; liquid: frostbite

Regulatory information

DHS Chemicals of Interest (COI) · 4 items

Propyne

1

10000

Flammable chemical that can be released at a facility.

Safety data

OEB
A
OEL
TWA: 1000 ppm (1650 mg/m3)
PPE
Eyeshields, Faceshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
-
IDLA
1,700 ppm [10% LEL]
tsca
TSCA listed

Chemistry & industry

Pharmacology

Absorption, Distribution and Excretion · 2 items

Propyne has been detected in exhaled air at 0.81 mg/hr in nonsmokers, and at 1.1 and 2.3 mg/hr in smokers.

... /Propyne/ can be absorbed into the body by inhalation.

Uses & manufacturing

Uses · 3 items

Used as a welding fuel and chemical intermediate; [ACGIH]

Gas Welding and Cutting [Category: Weld]

... Propyne is used as a welding torch fuel, as a specialty fuel, and chemical intermediate.

U.S. Production · 3 items

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

This chemical is listed as a High Production Volume (HPV) (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).

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#3932]

Consumer UsesIntermediate
Industry UsesIntermediate
Methods of Manufacturing · 3 items

Thermal or catalytic pyrolysis of propene

Propyne and propadiene can be recovered from cracked gas by solvent extraction.

In ethylene plants ... removed by selective hydrogenation of the C3 stream after it has been separated from heavier hydrocarbons.

General Manufacturing Information · 2 items

Petrochemical Manufacturing

1-Propyne: ACTIVE

Applications · 5 items

DescriptionMethyl acetylene is a flammable, colorless gas with a sweet odor. Molecular weight= 40.07;Boiling point=23.3℃; Freezing/Melting point=102.8℃; Vapor pressure= 5.2 atm; Relative vapor density (air= 1)= 1.41. Explosive limits: LEL= 1.7%; UEL= 11.7%. Hazard Identification (based on NFPA-704 M Rating System): Health 2, Flammability 4, Reactivity 2. A fuel that is shipped as a liquefied compressed gas. Practically insoluble in water; solubility 0.4%.

UsesPropyne is produced by thermal or catalytic pyrolysis of propene. Like acetylene, propyne is used as a welding torch fuel, as a specialty fuel, and chemical intermediate.

UsesPropellant; welding

UsesSpecialty fuel, chemical intermediate.

General DescriptionA colorless liquefied gas with a sweet odor. Mp: -104°C, bp: -23.1°C. Insoluble in water, soluble in ethanol, chloroform and benzene. Moderately toxic by inhalation. Used as a speciality fuel. Denser than air. Vapors may ignite at distant sources of ignition and flash back.

Suppliers75 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
安徽旺山旺水特种气体有限公司15906197626 · [email protected]
江西核研院新材料有限公司18901398682 18901398682 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Additional notes

DefinitionChEBI: Propyne is an alkyne, a terminal acetylenic compound and a gas molecular entity.

Related reactions

111 records

Compound notes

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