기본 정보
- 표준 SMILES
CC1=CC=CC1- InChIKey
NFWSQSCIDYBUOU-UHFFFAOYSA-N- 분자식
- C6H8
- 평균 분자량
- 80.13 g/mol
- 단동위원소 질량
- 80.06260026
개요
Methylcyclopentadiene appears as a pale yellow liquid or crystalline solid. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. Vapor can injure the eyes and respiratory tract and may cause headaches and dizziness. Vapor is anesthetic and may have other central nervous system effects. Vapor may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system, or from vomiting, may cause bronchopneumonia or pulmonary edema.
이름 및 식별자
- 우선 이름
- 1-Methyl-1,3-cyclopentadiene
- IUPAC
- 1-methylcyclopenta-1,3-diene
- 현지명
- 1-메틸사이클로펜타-1,3-디엔
- 영어명
- 1-methylcyclopenta-1,3-diene
- 분자식
- C6H8
- 분자량
- 80.13
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
26519-91-5、96-39-9- PubChem CID
- 66775
- DTXSID
DTXSID101027739- UNII
- K4O53GR393
- EC Number
- 247-757-5
- Nikkaji
- J23.455I
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 96.6
실험 및 물리화학적 성질
Physical Description
Methylcyclopentadiene appears as a pale yellow liquid or crystalline solid. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. Vapor can injure the eyes and respiratory tract and may cause headaches and dizziness. Vapor is anesthetic and may have other central nervous system effects. Vapor may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system, or from vomiting, may cause bronchopneumonia or pulmonary edema.
Liquid
Pale yellow liquid or solid; [CAMEO]
물리화학적 성질
- 녹는점
- 66 · 66-66.5 °C
- 끓는 점
- 73.5 · 73.5-74 °C(Press: 749 Torr)
- 밀도
- 0.8053 g/cm3 · 0.8053 g/cm3
- InChI
- InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3
- InChIKey
- NFWSQSCIDYBUOU-UHFFFAOYSA-N
- SMILES
- C1(C)CC=CC=1
안전 및 규제
유해성 정보
Regulatory Information
Chemical: 1,3-Cyclopentadiene, methyl-
1,3-Cyclopentadiene, methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclopentadiene, methyl- 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)
1,3-Cyclopentadiene, methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Highly flammable; Vapor may cause eye and respiratory tract injury; Inhalation may have anesthetic and other CNS effects; May cause liver and kidney injury; An aspiration hazard by ingestion (may cause respiratory tract damage); [CAMEO] See Cyclopentadiene.
안전 및 보호
독성 정보
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Cyclopentadiene, methyl-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
연결된 노트
불러오는 중…