(1Z,5Z)-1,5-Cyclooctadiene

Basic Information

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CAS Number

111-78-4

Molecular Formula

C8H12

Molecular Weight

108.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

−69 °C

Boiling Point

150°C

Water Solubility

780MG/L(20ºC)

Refractive Index

n20/D 1.493(lit.)

Vapor Pressure

25.8 mmHg ( 37.7 °C)<br />6.8 mmHg ( 25 °C)

SMILES

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C1CC=CCCC=C1

InChI

InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-

InChIKey

VYXHVRARDIDEHS-QGTKBVGQSA-N

LogP

2.6728000000000014

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

72.6

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3.2 Class 3.2

Stability

Stable. Flammable.

Synonyms & References

English

AI3-26692
BP-20393
UNII-1E1VVD385Z
EINECS 203-907-1
NSC60155
1,5-Cyclooctadiene, puriss., >=99.0% (GC)
EC 203-907-1
1,5-Cyclooctadiene, purified by redistillation, >=99%
1.5-cyclooctadiene
VYXHVRARDIDEHS-QGTKBVGQSA-N
DTXSID0026888
MFCD00001752
1,5-CYCLOOCTADIENE
BRN 1209288
Tox21_201015
W-109416
InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7
cis,cis-1,5-Cyclooctadiene
(Z,Z)-Cycloocta-1,5-diene
BS-21545
(1Z,5Z)-cycloocta-1,5-diene
AMY22290
1552-12-1
HSDB 5549
NCGC00248897-01
4-05-00-00403 (Beilstein Handbook Reference)
DTXCID806888
AKOS000121144
cis,cis-1,5-Cyclooctadiene, >=98.0% (GC)
1E1VVD385Z
W-109115

MDL Number

MFCD00001752

FAQ

What regulatory guidelines apply to (1Z,5Z)-1,5-Cyclooctadiene (CAS: 111-78-4)?

(1Z,5Z)-1,5-Cyclooctadiene (CAS: 111-78-4) is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as an inhalation hazard. It is regulated under the European Union's REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) regulations. Additionally, the U.S. FDA and EPA may have specific requirements for its labeling and handling due to its flammability and potential health effects.

Are there alternatives to (1Z,5Z)-1,5-Cyclooctadiene (CAS: 111-78-4) in synthesis?

There are several alternatives to (1Z,5Z)-1,5-Cyclooctadiene (CAS: 111-78-4) in synthesis, including 1,5-cyclooctadiene (1Z,5Z)-isomer and 1,3-cyclooctadiene. Commonly used alternatives include cis-1,5-cyclooctadiene and cis-1,3-cyclooctadiene, which may offer similar reactivity profiles and are sometimes used in place of (1Z,5Z)-1,5-cyclooctadiene depending on the specific chemical reaction requirements.

What is the market or research trend for (1Z,5Z)-1,5-Cyclooctadiene (CAS: 111-78-4)?

The market for (1Z,5Z)-1,5-Cyclooctadiene (CAS: 111-78-4) is primarily driven by its use in organic synthesis, particularly in the pharmaceutical and polymer industries. Recent research trends have focused on its application in the development of new materials and drug candidates. The demand for (1Z,5Z)-1,5-Cyclooctadiene is expected to grow due to its unique properties and its role in innovative chemical processes.

How should waste containing (1Z,5Z)-1,5-Cyclooctadiene (CAS: 111-78-4) be handled?

Waste containing (1Z,5Z)-1,5-Cyclooctadiene (CAS: 111-78-4) should be managed in accordance with local and international regulations. Waste liquids should be collected in appropriate containers and stored in a well-ventilated area. For disposal, the waste should be incinerated or handled by a professional waste disposal service. Proper handling and disposal procedures must be followed to ensure safety and environmental protection. Always refer to local regulatory requirements for specific disposal guidelines.