1-Vinylcyclohexen

Vinylcyclohexene

HCID 17497CAS 100-40-3

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

VinylcyclohexeneRefChem:1100992DTXCID801518244DTXSID5010332091-VINYL-3-CYCLOHEXENE100-40-34-Vinyl cyclohexene4-Vinylcyclohexene-1Cyclohexene, 4-ethenyl-1-Vinylcyclohexene1-ETHENYLCYCLOHEXENECyclohexene, 1-ethenyl-
Weitere Namen anzeigen
1-vinylcyclohex-1-ene
1-Vinyl-1-cyclohexene2622-21-1Cyclohexene, ethenyl-Cyclohexene, 1-vinyl-25168-07-41-vinyl-cyclohexene2-Vinylcyclohexene1-ethenylcyclohex-1-ene

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

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Aliphatics, Unsaturated

Other Classes -> Other Organic Compounds

SpringerMaterials PropertiesOptical coefficient
Density · 3 Einträge

0.8303 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8623 @ 15 °C/4 °C

0.83

Solubility · 2 Einträge

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 · 2 Einträge

60 °F (NTP, 1992)

60 °F

Boiling Point · 3 Einträge

259 to 261 °F at 760 mmHg (NTP, 1992)

145 °C @ 760 MM HG

259-261 °F

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 · 4 Einträge

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

Other Safety InformationIMAP assessments - Cyclohexene, 4-ethenyl-: Human health tier II assessment
DOT LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.
Health HazardsExposure can cause irritation of eyes, nose and throat. High concentrations have a narcotic effect. (USCG, 1999)
Hazards SummaryCauses male and female reproductive damage in high-dose animal studies; [ACGIH] Narcosis/anesthesia induced when inhaled at high concentrations; [HSDB]

Sicherheit und Schutzausrüstung

Fire FightingFire Extinguishing Agents Not to Be Used: Water.
First Aid · 1 Eintrag

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 · 1 Eintrag

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.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Threshold Limit Values (TLV) · 2 Einträge

0.1 [ppm]

0.1 ppm [1994]

Personal Protective Equipment (PPE)Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity Data · 2 Einträge

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 · 3 Einträge

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 · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Imports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Production · 3 Einträge

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.

Consumer UsesIntermediate
Industry UsesAdhesion/cohesion promoter

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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