기본 정보
- 표준 SMILES
C=CC1=CCCCC1- InChIKey
SDRZFSPCVYEJTP-UHFFFAOYSA-N- 분자식
- C8H12
- 평균 분자량
- 108.18 g/mol
- 단동위원소 질량
- 108.09390038
개요
Vinylcyclohexene is a colorless liquid. Floats on water. (USCG, 1999)
이름 및 식별자
- 우선 이름
- Vinylcyclohexene
- IUPAC
- 1-ethenylcyclohexene
- 현지명
- 1-비닐사이클로헥센
- 영어명
- 1-vinylcyclohexene
- 분자식
- C8H12
- 분자량
- 108.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
100-40-3、25168-07-4、2622-21-1- PubChem CID
- 17497
- DTXSID
DTXSID6051934- EC Number
- 220-070-8
- Nikkaji
- J192.129K
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 109
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Aliphatics, Unsaturated
Other Classes -> Other Organic Compounds
Density
0.8303 at 68 °F (USCG, 1999) - Less dense than water; will float
0.8623 @ 15 °C/4 °C
0.83
Solubility
1 to 10 mg/mL at 67.1 °F (NTP, 1992)
INSOL IN WATER; SOL IN ETHER & BENZENE; VERY SOLUBLE IN METHYL ALCOHOL
Flash Point
60 °F (NTP, 1992)
60 °F
Boiling Point
259 to 261 °F at 760 mmHg (NTP, 1992)
145 °C @ 760 MM HG
259-261 °F
Melting Point
-150 °F (NTP, 1992)
-150 °F
Vapor Density
3.76 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
3.76
Vapor Pressure
15 mmHg at 77 °F ; 25.8 mmHg at 100 °F (NTP, 1992)
15.7 [mmHg]
15 mmHg at 77 °F
Physical Description
Vinylcyclohexene is a colorless liquid. Floats on water. (USCG, 1999)
Liquid
Colorless to slightly yellow liquid with a sweet aromatic odor at 0.5 ppm; [AIHA]
Colorless liquid.
물리화학적 성질
- 끓는 점
- 137.85 °C · 137.85°C (rough estimate)
- 밀도
- 0.8623 · 0.8623
- 굴절률
- 1.4915 · 1.4915
- Henry's Law Constant
- 7.7 · 7.7×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- EPA
- 1 · Cyclohexene, 1-ethenyl- (2622-21-1)
화학적 성질
Vinylcyclohex-1-ene is a flammable liquid.
안전 및 규제
유해성 정보
Regulatory Information
Chemical: Cyclohexene, 4-ethenyl-
Chemical: Cyclohexene, ethenyl-
Cyclohexene, 4-ethenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexene, 4-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)
4-Vinyl cyclohexene: Does not have an individual approval but may be used under an appropriate group standard
Peroxide Forming Chemical
4-Vinyl cyclohexene
D: Other compounds that may form peroxides
Kelly
American Conference of Governmental Industrial Hygienists, Inc. Documentation of the Threshold Limit Values and Biological Exposure Indices. 6th ed. Volumes I, II, III. Cincinnati, OH: ACGIH, 1991., p. 1703
Lower Explosive Limit (LEL)
1 % (USCG, 1999)
1%
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Threshold Limit Values (TLV)
0.1 [ppm]
0.1 ppm [1994]
독성 정보
Toxicity Data
LCLo (rat) = 8,000 ppm/4H
LC50 (rat) = 10,500 mg/m3/4hr
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-35355
- 유해 물질 데이터
- 2622-21-1(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used as an intermediate; [HSDB] In the past, highest concentrations were found in personal air samples of polymer production workers (styrene/butadiene and vinylnorborene production) at about 5 ppm and in Russian rubber workers at a mean of 270 to 540 ppm. [ACGIH]
Used as a research chemical; No known commercial production for sale in the US; [HSDB]
RESEARCH CHEMICAL; CHEM INT (POSSIBLE USE)
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 5,000,000 - <10,000,000 lb
(1977) AT LEAST 4.5X10+8 G-MAY BE A BYPRODUCT
(1981) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.
General Manufacturing Information
Synthetic Rubber Manufacturing
Cyclohexene, 4-ethenyl-: ACTIVE
Cyclohexene, 1-ethenyl-: INACTIVE
Cyclohexene, ethenyl-: ACTIVE
응용 분야
용도Vinylcyclohex-1-ene is a common component of tobacco smoke thought to be formed by dimerization from butadiene (119). It serves as an important chemical intermediate.
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