Grundinformationen
- Standard-SMILES
C=CC1=CCCCC1- InChIKey
SDRZFSPCVYEJTP-UHFFFAOYSA-N- Summenformel
- C8H12
- Durchschnittliche Molmasse
- 108,18 g/mol
- Monoisotopische Masse
- 108,09390038
Überblick
Vinylcyclohexene is a colorless liquid. Floats on water. (USCG, 1999)
Namen und Bezeichner
- Bevorzugter Name
- Vinylcyclohexene
- IUPAC
- 1-ethenylcyclohexene
- Lokaler Name
- 1-Vinylcyclohexen
- Englischer Name
- 1-vinylcyclohexene
- Summenformel
- C8H12
- Molmasse
- 108.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
100-40-3、25168-07-4、2622-21-1- PubChem CID
- 17497
- DTXSID
DTXSID6051934- EC Number
- 220-070-8
- Nikkaji
- J192.129K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 109
Experimentelle und physikochemische Eigenschaften
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.
Physikochemische Eigenschaften
- Siedepunkt
- 137.85 °C · 137.85°C (rough estimate)
- Dichte
- 0.8623 · 0.8623
- Brechungsindex
- 1.4915 · 1.4915
- Henry's Law Constant
- 7.7 · 7.7×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- EPA chemische Informationen
- 1 · Cyclohexene, 1-ethenyl- (2622-21-1)
Sicherheit und Regulatorisches
Gefahrenhinweise
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%
Sicherheit und Schutzausrüstung
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]
Toxikologische Informationen
Toxicity Data
LCLo (rat) = 8,000 ppm/4H
LC50 (rat) = 10,500 mg/m3/4hr
Sicherheitsdaten
- tsca
- TSCA listed
- Giftige Stoffe Daten
- 2622-21-1(Hazardous Substances Data)
Chemie und Industrie
Verwendung und Herstellung
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
Anwendungen
VerwendenVinylcyclohex-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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