기본 정보
- 표준 SMILES
C=C=C- InChIKey
IYABWNGZIDDRAK-UHFFFAOYSA-N- 분자식
- C3H4
- 평균 분자량
- 40.06 g/mol
- 단동위원소 질량
- 40.03130013
개요
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.
이름 및 식별자
- 우선 이름
- Allene
- IUPAC
- propa-1,2-diene
- 영어명
- 1,2-Propadiene
- 분자식
- C3H4
- 분자량
- 40.06
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 3
- 형식 전하
- 0
- 복잡도
- 15.5
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Simple Asphyxiants
Flammable agents - 4th degree
Density
1.787
0.677 @25 °C
Color/Form
GAS
COLORLESS
Boiling Point
-34.5 °C @ 760 MM HG
-34.5 °C @760 [mm Hg]
Melting Point
-136 °C
-136 °C
Vapor Pressure
5430.0 [mmHg]
5990 [mm Hg] @20 °C
Physical Description
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]
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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)
Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24896
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.)
Fire Hazards
Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
· EXTREMELY FLAMMABLE.
Health Hazards
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.
Reactivity Profile
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
/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
Propadiene, stabilized
UN2200
Div 2.1 Flammable gas (49 eCFR § 173.115)
안전 및 보호
Accidental Release Measures
· 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
Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 116 [Gases - Flammable (Unstable); polymerization hazard]:
Immediate precautionary measure
Protective Action Criteria (PAC)
230 [ppm]
2500 [ppm]
15000 [ppm]
독성 정보
규제 정보
DHS Chemicals of Interest (COI)
Propadiene
1
10000
Flammable chemical that can be released at a facility.
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H220
화학 및 산업
용도 및 제조
Uses
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
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
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
Methods of Manufacturing
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
Wholesale and Retail Trade
1,2-Propadiene: ACTIVE
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