structure of 4-Vinylcyclohexene

4-Vinylcyclohexene

CAS No.: 100-40-3
M. Wt: 108.181
M. Fa: C8H12
InChI Key: BBDKZWKEPDTENS-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of 4-Vinylcyclohexene

CAS Number

100-40-3

EC Number

202-848-9

IUPAC Name

4-ethenylcyclohexene

InChI

InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2

InChIKey

BBDKZWKEPDTENS-UHFFFAOYSA-N

Canonical SMILES

C=CC1CCC=CC1

UNII

212JQJ15PS

Physical and chemical properties of 4-Vinylcyclohexene

Boiling Point

259-261 °F

BRN

1901553

carcinogen classification

2B (Vol. Sup 7, 60) 1994

Density

0.83

Exact Mass

108.093903

Flash Point

60 °F

Index of Refraction

Index of refraction: 1.4639 @ 20 °C

LogP

3.93

Melting Point

-150 °F

Molecular Formula

C8H12

Molecular Weight

108.181

Stability

OXIDIZES IN AIR TO FORM HYDROPEROXIDE

Storage condition

2-8°C

Vapour density

3.76

Vapour Pressure

15 mmHg at 77 °F

Water Solubility

50mg/L(25 ºC)

Safety Information of 4-Vinylcyclohexene

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 4-Vinylcyclohexene

4-Vinylcyclohexene finds applications in several industrial processes:

  • Chemical Intermediate: It serves as an intermediate in the production of various chemicals, including flame retardants and epoxy resins.
  • Research: Its derivatives are used in toxicological studies to understand mechanisms of ovarian toxicity and other biological effects.

Interaction Studies of 4-Vinylcyclohexene

Studies have demonstrated that 4-vinylcyclohexene interacts with biological systems primarily through metabolic pathways involving liver microsomal enzymes. The major metabolic products include 4-vinyl-1,2-epoxycyclohexane and other epoxides, which may contribute to its biological activity and toxicity profile. Furthermore, research has highlighted the compound's ability to induce oxidative stress and its potential genotoxic effects.

Biological Activity of 4-Vinylcyclohexene

4-Vinylcyclohexene has been studied for its biological effects, particularly concerning reproductive toxicity. Research indicates that its diepoxide form is capable of causing ovarian toxicity by selectively destroying small pre-antral ovarian follicles in animal models. This effect raises concerns regarding its potential impact on human reproductive health, classifying it as a Group 2B carcinogen by the International Agency for Research on Cancer, indicating it is possibly carcinogenic to humans.

Physical sample testing spectrum (NMR) of 4-Vinylcyclohexene

Physical sample testing spectrum (NMR) of 4-Vinylcyclohexene

Retrosynthesis analysis of 4-Vinylcyclohexene

  • Route#1

    Cas:106-99-0
    Cas:693-86-7
    Cas:100-40-3
  • Route#2

    Cas:77614-67-6
    Cas:100-40-3
  • Route#3

    Cas:77614-53-0
    Cas:100-40-3