CAS 100-40-3 Vinylcyclohexene (HCID 17497)

概要

Vinylcyclohexene is a colorless liquid. Floats on water. (USCG, 1999)

名称と識別子

優先名称: Vinylcyclohexene
IUPAC: 1-ethenylcyclohexene
現地名: 1-エテニル-1-シクロヘキセン
英語名: 1-vinylcyclohexene
分子式: C8H12
分子量: 108.18

名称と別名

VinylcyclohexeneRefChem:1100992DTXCID801518244DTXSID5010332091-VINYL-3-CYCLOHEXENE100-40-34-Vinyl cyclohexene4-Vinylcyclohexene-1Cyclohexene, 4-ethenyl-1-Vinylcyclohexene1-ETHENYLCYCLOHEXENECyclohexene, 1-ethenyl-

名称をさらに表示

1-ビニルシクロヘキセン1-ビニル-1-シクロヘキセン1-エテニルシクロヘキセン1-エテニル-1-シクロヘキセン1-vinylcyclohex-1-ene

1-Vinyl-1-cyclohexene2622-21-1Cyclohexene, ethenyl-Cyclohexene, 1-vinyl-25168-07-41-vinyl-cyclohexene2-Vinylcyclohexene1-ethenylcyclohex-1-ene

データベース識別子

CAS: 100-40-3、25168-07-4、2622-21-1
PubChem CID: 17497
DTXSID: DTXSID6051934
EC Number: 220-070-8
Nikkaji: J192.129K

物性

構造計算による物性

XLogP: 2.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 109

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Aliphatics, Unsaturated

Other Classes -> Other Organic Compounds

SpringerMaterials PropertiesOptical coefficient

Density · 3 件

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

0.8623 @ 15 °C/4 °C

0.83

Solubility · 2 件

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 件

60 °F (NTP, 1992)

60 °F

Boiling Point · 3 件

259 to 261 °F at 760 mmHg (NTP, 1992)

145 °C @ 760 MM HG

259-261 °F

物理化学的性質

沸点: 137.85 °C · 137.85°C (rough estimate)
比重(密度): 0.8623 · 0.8623
屈折率: 1.4915 · 1.4915
Henry's Law Constant: 7.7 · 7.7×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
EPAの化学物質情報: 1 · Cyclohexene, 1-ethenyl- (2622-21-1)

化学的性質

化学的特性Vinylcyclohex-1-ene is a flammable liquid.

安全と法規制

危険有害性情報

Regulatory Information · 4 件

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]

安全と保護具

Fire FightingFire Extinguishing Agents Not to Be Used: Water.

First Aid · 1 件

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 件

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 件

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)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity Data · 2 件

LCLo (rat) = 8,000 ppm/4H

LC50 (rat) = 10,500 mg/m3/4hr

安全データ

tsca: TSCA listed
有毒物質データの: 2622-21-1(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 3 件

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 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 3 件

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

応用分野

使用Vinylcyclohex-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.