cyclooctene

• ChemBase ID: 126809
• Molecular Formular: C8H14
• Molecular Mass: 110.19676
• Monoisotopic Mass: 110.10955045
• SMILES: C1=CCCCCCC1
• Canonical SMILES: C1CCCC=CCC1
• InChI: InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2
• InChIKey: URYYVOIYTNXXBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclooctene; (Z)-cyclooctene
• IUPAC Traditional name: cyclooctene
• Synonyms: cis-Cyclooctene; trans-Cyclooctene; Cyclooctene; cis-Cyclooctene; Cyclooctene; 顺-环辛烯; 环辛烯

Database IDs

• CAS Number: 931-87-3; 931-88-4
• EC Number: 213-245-5; 213-243-4
• MDL Number: MFCD00001753
• Beilstein Number: 1280166; 1901031
• PubChem SID: 24857862; 24847668; 162221136
• PubChem CID: 638079
• Chemspider ID: 553642
• Wikipedia Title: Cyclooctene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1946278
• LogD (pH = 7.4): 3.1946278
• Log P: 3.1946278
• Molar Refractivity: 37.9246 cm^3
• Polarizability: 14.547113 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -16 °C(lit.); -16°C; -16°C
• Boiling Point: 145-146 °C; 145-146 °C(lit.); 145-146°C; 32-34 °C/12 mmHg(lit.)
• Flash Point: 24 °C; 25 °C; 25°C(77°F); 75.2 °F; 77 °F
• Density: 0.846 g/mL; 0.846 g/mL at 25 °C(lit.); 0.848; 0.848 g/mL at 20 °C(lit.)
• Refractive Index: 1.4700; n20/D 1.469(lit.); n20/D 1.470

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 3295; UN3295
• German water hazard class: 2; 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; 10-51/53-65; 10-65
• Safety Statements: 16-61-62; 16-62; 29-33
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H226; H226-H304; H304-H226-H411-H401
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3295 3/PG 3

Product Information

• Purity: ≥90% (GC); ≥99.5% (GC); 95%; 95%, stab.
• Grade: analytical standard; technical
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C8H14

DETAILS

Sigma Aldrich - 125482

Other Notes
Contains cyclooctane
Packaging
25 mL in glass bottle

REFERENCES

• For example of the addition of NOCl to an alkene and subsequent cleavage of the ɑ-chloro oxime by the abnormal Beckmann reaction to the ω-cyanoaldehyde, see: Org. Synth. Coll., 5, 266 (1973).
• Addition of dibromocarbene (see Bromoform, A11904) and ring-opening by reaction with MeLi leads to the cyclic allene 1,2-cyclononadiene: Org. Synth. Coll., 5, 306 (1973).
• The epoxidation of alkenes by H₂O₂ in methanol in the presence of acetonitrile is described for cyclooctene. The active species is the peroxyimidic acid, and the reaction is, with proper precautions, suitable for scale-up: Org. Synth. Coll., 7, 126 (1990).