ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /化合物

Allene

HCID 10037
ノートを作成反応を作成見積依頼を出す
印刷プレビュー
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
12075-35-3
標準SMILES
C=C=C
InChIKey
IYABWNGZIDDRAK-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

Propadiene, stabilized appears as a colorless flammable gas. May become unstable. Not toxic but asphyxiation may occur because of displacement of oxygen. Under prolonged exposure to fire or heat the containers may rupture violently and rocket.

名称と識別子

優先名称
Allene
IUPAC
propa-1,2-diene
英語名
1,2-Propadiene
分子式
C3H4
分子量
40.06

名称と別名

Allene1,2-PropadienePROPADIENE463-49-0DimethylenemethaneSym-allylene4AV0LZ8QKBDTXSID1029178CHEBI:37601RefChem:868638DTXCID409178207-335-3
名称をさらに表示
Propa-1,2-dieneMFCD00008566Propadiene-d4CH2=C=CH260731-10-412075-35-3HSDB 5135EINECS 207-335-3

データベース識別子

CAS
12075-35-3、463-49-0、60731-10-4
PubChem CID
10037
DTXSID
DTXSID1029178
ChEMBL
CHEMBL116960
ChEBI
CHEBI:37601
UNII
4AV0LZ8QKB
EC Number
207-335-3
Nikkaji
J3.636F

物性

構造計算による物性

XLogP
0.8
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
形式電荷
0
複雑度
15.5

実験および物理化学的性質

Chemical Classes · 2 件

Toxic Gases & Vapors -> Simple Asphyxiants

Flammable agents - 4th degree

SpringerMaterials PropertiesDunham energy parameter
Density · 2 件

1.787

0.677 @25 °C

Color/Form · 2 件

GAS

COLORLESS

SolubilityINSOL IN WATER; SOL IN BENZENE, PETROLEUM ETHER
Boiling Point · 2 件

-34.5 °C @ 760 MM HG

-34.5 °C @760 [mm Hg]

Melting Point · 2 件

-136 °C

-136 °C

Vapor Pressure · 2 件

5430.0 [mmHg]

5990 [mm Hg] @20 °C

Refractive IndexINDEX OF REFRACTION: 1.4168
Physical Description · 3 件

Propadiene, stabilized appears as a colorless flammable gas. May become unstable. Not toxic but asphyxiation may occur because of displacement of oxygen. Under prolonged exposure to fire or heat the containers may rupture violently and rocket.

Liquid

Colorless gas; [HSDB]

Stability/Shelf LifeUNSTABLE
Other Experimental PropertiesCAN BE READILY LIQUIFIED

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.3% (1 of 317) of reports.

Danger

H220 (87.7%): Extremely flammable gas [Danger Flammable gases]

P203, P210, P222, P280, P377, P381, P403, and P410+P403 (click each P-code to see the statement)

Aggregated GHS information provided per 317 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: 1,2-Propadiene

1,2-Propadiene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Propadiene 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)

REACH registered substance: Allene (EC: 207-335-3)

1,2-propadiene: Does not have an individual approval but may be used under an appropriate group standard

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 LabelFlammable Gas
Fire Hazards · 2 件

Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:

· EXTREMELY FLAMMABLE.

Fire PotentialFLAMMABLE; DANGEROUS FIRE RISK.
Health Hazards · 2 件

Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:

· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.

Hazards SummaryInhaling high concentrations can cause lightheadedness and syncope; [NJ-HSFS] Liquefied gas may cause frostbite. A simple asphyxiant; [CAMEO] Propadiene, stabilized (UN2200) has warning of explosive polymerization; [ERG 2016]
DOT ID and Guide2200 116P
Reactive GroupConjugated Dienes
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 件

The unsaturated aliphatic hydrocarbons, such as PROPADIENE, are generally much more reactive than the alkanes. Strong oxidizers may react vigorously with them. Reducing agents can react exothermically to release gaseous hydrogen. In the presence of various catalysts (such as acids) or initiators, compounds in this class can undergo very exothermic addition polymerization reactions. Many of these compounds undergo autoxidation upon exposure to the air to form explosive peroxides. Violent explosions have occurred at low temperatures in ammonia synthesis gas units. These explosions have been traced to the addition products of dienes and oxides of nitrogen, produced from the interaction of nitrogen oxide and oxygen [Bretherick, 1995].

DOT Emergency Guidelines · 5 件

/GUIDE 116P: GASES - FLAMMABLE (UNSTABLE)/ Fire or Explosion: EXTREMELY FLAMMABLE. Will be easily ignited by heat, sparks or flames. Will form explosive mixtures with air. ... Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Vapors from liquefied gas are initially heavier than air and spread along ground. Vapors may travel to source of ignition and flash back. Cylinders exposed to fire may vent and release flammable gas through pressure relief devices. Containers may explode when heated. Ruptured cylinders may rocket. /Propadiene, inhibited; Propadiene, stabilized/

/GUIDE 116P: GASES - FLAMMABLE (UNSTABLE)/ Health: Vapors may cause dizziness or asphyxiation without warning. Some may be toxic if inhaled at high concentrations. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire may produce irritating and/or toxic gases. /Propadiene, inhibited; Propadiene, stabilized/

/GUIDE 116P: GASES - FLAMMABLE (UNSTABLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 100 meters (330 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Many gases are heavier than air and will spread along ground and collect in low or confined areas (sewers, basements, tanks). Keep out of low areas. /Propadiene, inhibited; Propadiene, stabilized/

/GUIDE 116P: GASES - FLAMMABLE (UNSTABLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Propadiene, inhibited; Propadiene, stabilized/

For more DOT Emergency Guidelines (Complete) data for PROPADIENE (8 total), please visit the HSDB record page.

DOT Hazard Classification · 3 件

Propadiene, stabilized

UN2200

Div 2.1 Flammable gas (49 eCFR § 173.115)

安全と保護具

Fire FightingExcerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
Accidental Release Measures · 2 件

· 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 · 2 件

Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
Isolation and Evacuation · 2 件

Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 件

65000 [ppm]

230000 [ppm]

400000 [ppm]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
Emergency Response Planning Guidelines· DO NOT EXTINGUISH A LEAKING GAS FIRE UNLESS LEAK CAN BE STOPPED.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

法規制情報

DHS Chemicals of Interest (COI) · 4 件

Propadiene

1

10000

Flammable chemical that can be released at a facility.

安全データ

注意喚起語
危険
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H220

化学と産業

用途と製造

Uses · 4 件

Used as a chemical intermediate, a fuel gas for welding when mixed with propyne, and a monomer; [HSDB]

Gas Welding and Cutting [Category: Weld]

CHAIN-TRANSFER REAGENT IN PRODN OF POLYBUTADIENE; FUEL GAS FOR METAL-WORKING INDUSTRY (MIXT WITH PROPYNE); MONOMER FOR ALLENE POLYMERS (POSSIBLE USE)

CHEM INT IN PRODN OF ITS ISOMER, PROPYNE, METHYLENENORBORNENE, IN HYDROBORATION REACTIONS (POSSIBLE USE)

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1977) No Data

(1979) No Data

U.S. Production · 3 件

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

(1977) MORE THAN 2.72X10+6 G-MIXT WITH PROPYNE

(1979) MORE THAN 2.72X10+6 G-MIXT WITH PROPYNE

Consumer UsesIntermediate
Industry UsesIntermediate
Methods of Manufacturing · 2 件

PYROLYSIS OF PROPYLENE, ISOBUTYLENE OR A NAPHTHA/GAS OIL MIXT FOLLOWED BY SEPN, EG, BY NAPHTHA ADSORPTION; DEHYDROHALOGENATION OF PROPYLENE DIBROMIDE WITH SODIUM HYDROXIDE FOLLOWEDBY SEPN; CRACKING OF T-BUTYL ALCOHOL WITH STEAM AS A DILUENT FOLLOWED BY SEPN

A) ACTION OF ZINC DUST ON 2,3-DICHLOROPROPENE; B) PYROLYSIS OF ISOBUTYLENE; C) ELECTROLYSIS OF POTASSIUM ITACONATE.

General Manufacturing Information · 2 件

Wholesale and Retail Trade

1,2-Propadiene: ACTIVE

関連反応

8 件
反応記録を作成
HRID 837875 の反応式
HRID 837875反応物としてTest data from https://doi.org/10.1039/C8SC04228D
HRID 926409 の反応式
HRID 926409反応物としてuspto-grants-2016_03
HRID 979554 の反応式
HRID 979554反応物としてuspto-grants-1987_05
HRID 1154283 の反応式
HRID 1154283反応物としてuspto-grants-1984_12
HRID 1227787 の反応式
HRID 1227787反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1289263 の反応式
HRID 1289263反応物としてuspto-grants-1998_05
HRID 2396864 の反応式
HRID 2396864反応物としてuspto-grants-1996_02
HRID 2399435 の反応式
HRID 2399435反応物としてuspto-grants-1995_09

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す