7-Oxabicyclo(4.1.0)heptane, 3-ethenyl-
기본 정보
- CAS
106-86-5- 표준 SMILES
C=CC1CCC2OC2C1- InChIKey
SLJFKNONPLNAPF-UHFFFAOYSA-N- 분자식
- C8H12O
- 평균 분자량
- 124.18 g/mol
- 단동위원소 질량
- 124.088815
개요
3-Vinyl-7-oxabicyclo[4.1.0]heptane is an oxacycle.
이름 및 식별자
- 우선 이름
- 7-Oxabicyclo(4.1.0)heptane, 3-ethenyl-
- IUPAC
- 3-ethenyl-7-oxabicyclo[4.1.0]heptane
- 영어명
- 1,2-Epoxy-4-vinylcyclohexane
- 분자식
- C8H12O
- 분자량
- 124.18
이름 및 동의어
3-Vinyl-7-oxabicyclo[4.1.0]heptane7-Oxabicyclo[4.1.0]heptane, 3-ethenyl-Epoxide 1014-Vinylcyclohexene oxideUnoxat epoxide 101Vinylcyclohexane monoxideVinylcyclohexene monoxide1-Vinyl-3,4-epoxycyclohexane4-Vinyl-1,2-epoxycyclohexane4-Vinylcyclohexene monoxide3,4-Epoxycyclohexylethylene4-Vinylcyclohexane monoepoxide
이름 더 보기
4-VINYL-1-CYCLOHEXENE 1,2-EPOXIDE4-Vinyl-1-cyclohexene 1,2-epoxide, mixture of isomers ,98% [mixture of isomers]EP-101epoxide101unoxatepoxide101vinylcyclohexenemonoxide3-Vinylcyclohexene oxide
4-Vinylcyclohexene-1,2-epoxide4-Vinylcyclohexane, 1,2-epoxideEINECS 203-436-1NSC 354093-Vinyl-7-oxabicyclo(4.1.0)heptaneBRN 01073907-Oxabicyclo(4.1.0)heptane, 3-ethenyl-AI3-26045
데이터베이스 식별자
- CAS
106-86-5- PubChem CID
- 7832
- DTXSID
DTXSID10861725- ChEBI
CHEBI:189262- Nikkaji
- J60.482H
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 131
실험 및 물리화학적 성질
SpringerMaterials PropertiesOptical coefficient
LogP2.08
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- -100 °C · -100°C(lit.)
- 끓는 점
- 169 °C · 169 °C(lit.)
- 밀도
- 0.952 g/mL · 0.952 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.469(lit.)
- 인화점
- 115 °F · 115 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- Specific Gravity
- 0.952 · 0.952
- InChI
- InChI=1S/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2
- InChIKey
- SLJFKNONPLNAPF-UHFFFAOYSA-N
- SMILES
- C12C(O1)CCC(C=C)C2
- NIST
- 7 · 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl-(106-86-5)
- EPA
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl-
7-Oxabicyclo[4.1.0]heptane, 3-ethenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl- 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)
7-Oxabicyclo4.1.0heptane, 3-ethenyl-: 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.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RN8770000
- ridadr
- UN 3271 3/PG 3
- HS 번호
- 29109000
- risk_code
- 45-10-20/21/22-40-36-22
- hazard_code
- T,Xn
- safety_code
- 53-16-23-36/37/39-45-36/37-26
- 포장분류
- III
- 위험 등급
- 3.2
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Metabolism/Metabolites1,2-Epoxy-4-vinylcyclohexane has known human metabolites that include VCH-diepoxide.
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
7-Oxabicyclo[4.1.0]heptane, 3-ethenyl-: ACTIVE
응용 분야
용도Vinylcyclohexene monoxide is a chemical intermediate; it can be copolymerized with other epoxides to yield polyglycols having unsaturation available for further reaction.
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