기본 정보
- 표준 SMILES
C1=C\CCCCCC/1- InChIKey
URYYVOIYTNXXBN-UPHRSURJSA-N- 분자식
- C8.H14
- 평균 분자량
- 110.2 g/mol
- 단동위원소 질량
- 110.10955045
개요
Cyclooctene is a cycloalkene with an eight-membered ring. It has a role as an Aspergillus metabolite and a Penicillium metabolite.
이름 및 식별자
- 우선 이름
- Cyclooctene
- IUPAC
- cyclooctene
- 현지명
- 시클로옥텐,단독중합체
- 영어명
- Cyclooctene, homopolymer
- 분자식
- (C8H14)x
- 분자량
- 110.2
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
25267-51-0、931-87-3、931-88-4- PubChem CID
- 638079
- DTXSID
DTXSID20883615- ChEMBL
CHEMBL30773- ChEBI
CHEBI:225365- UNII
- AE340T3540
- EC Number
- 213-243-4、213-245-5、802-096-7
- Nikkaji
- J1.746I、J1.747G
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 62.1
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Aliphatics, Unsaturated
Other Classes -> Aliphatics, Unsaturated
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description
Liquid
Liquid; [Sigma-Aldrich MSDS]
Clear colorless liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 17 °C · 17 °C
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
유해성 정보
Regulatory Information
Cyclooctene, (1Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclooctene, (1Z)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 29-08-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6839
Cyclooctene, homopolymer: 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.
Cyclooctene, (1Z)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
May cause irritation; [Sigma-Aldrich MSDS] See Cycloheptene.
Not a skin or eye irritant in rabbits; Not sensitizing in guinea pigs using Freund's complete adjuvant test; [IUCLID] May cause irritation; An aspiration hazard by ingestion (may cause lung injury); [Sigma-Aldrich MSDS] See Cycloheptene.
Peroxide Forming Chemical
cis-Cyclooctene
D: Other compounds that may form peroxides
Kelly
Cases of hydroperoxide formation documented in the literature.
https://doi.org/10.1021/ie040228l
Cyclooctene
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Not Classified
안전 및 보호
Protective Action Criteria (PAC)
14 [mg/m3]
150 [mg/m3]
900 [mg/m3]
안전 데이터
- 기존화학 물질
- 2009-3-3944
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Cyclooctene, (1Z)-: ACTIVE
Cyclooctene: ACTIVE
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