Propyne

HCID 6335CAS 74-99-7

基本情報

標準SMILES
C#CC
InChIKey
MWWATHDPGQKSAR-UHFFFAOYSA-N
分子式
C3H4
平均分子量
40.06 g/mol
単同位体質量
40.03130013

概要

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.

名称と識別子

優先名称
Propyne
IUPAC
prop-1-yne
現地名
2-プロピン
英語名
Propyne
分子式
C3H4
分子量
40.06

名称と別名

PropyneMethylacetyleneprop-1-yne1-PROPYNEAllylene74-99-7Methyl acetyleneAcetylene, methyl-086L40ET1BDTXSID0026387CHEBI:48086RefChem:6178
名称をさらに表示
2-プロピンアリレンメチルアセチレン1-プロピンプロピンプロピン (約3%ヘプタン溶液)プロピン (約3-4%ヘプタン溶液)プロピン (約4% N,N-ジメチルホルムアミド溶液, 約1.0mol/L)プロピン (約5%テトラヒドロフラン溶液, 約1mol/L)メチルアセチレン (約3-4%ヘプタン溶液)メチルアセチレン (約4% N,N-ジメチルホルムアミド溶液, 約1.0mol/L)メチルアセチレン (約5%テトラヒドロフラン溶液, 約1mol/L)メチルアセチレン【プロピン】Propine2-PropyneCH3CequivCHPropyne 96%Propyne,95%
DTXCID406387200-828-4METHYLACETYLENE-D1MFCD000362357299-37-8Propyne, ca. 4% in N,N-Dimethylformamide, ca. 1.0mol/LPropynylidyneAllylene; Methylacetylene; Propine

データベース識別子

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

物性

構造計算による物性

XLogP
0.9
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
3

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Aliphatics, Unsaturated

Flammable agents - 4th degree

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

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

物理化学的性質

融点
-102.7 °C · -102.7 °C (lit.)
沸点
-23.2 °C · -23.2 °C (lit.)
比重(密度)
0.607 · 0.6070
蒸気圧
204.6 mm · 204.6 mm Hg ( −49.5 °C)
屈折率
1.3863 · 1.3863
闪点
-51 °C · -51 °C

化学的性質

化学的特性Propyne,C3H4, is a colorless, highly flammable, and explosive gas. Sources of propyne emissions to the atmosphere include automobile and turbine exhaust, biomass and polymer combustion, petroleum manufacturing, and tobacco smoke.

化学性质プロピン別名メチルアセチレンは化学式C3H4を持つ炭化水素でアルキンの一種ですこのガスは無色であり非常に反応性が高く燃焼性がありますプロピンの分子は一つの三重結合を含んでいるため他の化合物と容易に反応して様々な化学製品を生成することが可能です

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 5 件

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 件

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

Extremely flammable. Gas/air mixtures are explosive.

Fire Potential · 3 件

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:

安全と保護具

Fire Fighting · 2 件

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 件

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 件

Excerpt from NIOSH Pocket Guide for Methyl acetylene:

(General first aid procedures)

Safe StorageFireproof. Cool.
Firefighting Hazards · 2 件

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 件

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.

毒性情報

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 件

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 件

The substance can be absorbed into the body by inhalation.

inhalation, skin and/or eye contact (liquid)

Signs and Symptoms · 3 件

Dizziness. Headache. Nausea. Unconsciousness.

ON CONTACT WITH LIQUID: FROSTBITE.

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

法規制情報

DHS Chemicals of Interest (COI) · 4 件

Propyne

1

10000

Flammable chemical that can be released at a facility.

安全データ

OEB
A
OEL
TWA: 1000 ppm (1650 mg/m3)
wgk
-
IDLA
1,700 ppm [10% LEL]
tsca
TSCA listed
rtecs
UK4250000

化学と産業

薬理情報

Absorption, Distribution and Excretion · 2 件

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.

用途と製造

Uses · 3 件

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 件

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 件

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 件

Petrochemical Manufacturing

1-Propyne: ACTIVE

応用分野 · 4 件

解説プロピン,アセチレン系炭化水素の一つ。異性体のプロパジエンとともに溶接の燃料などに用いられる。炭化マグネシウムMg2C3の加水分解,あるいは金属アセチリドとヨウ化メチルから得られる.無色の気体.融点-102.7 ℃,沸点-23.2 ℃.d-500.7026.d-401.3863.エタノールに易溶,有機溶媒に可溶,水にかなり可溶.金属と不溶性のアセチリドを生成する.容易にアレンに異性化する.

用途合成中間体

使用Propyne 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.

一般的な説明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 speciality fuel. Denser than air. Vapors may ignite at distant sources of ignition and flash back.

調製方法

純化方法Purify it by preparative gas chromatography. [Beilstein 1 H 246.]

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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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]

関連反応

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