cyclooctene

• ChemBase编号: 126809
• 分子式: C8H14
• 平均质量: 110.19676
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: cyclooctene; (Z)-cyclooctene
• IUPAC传统名: cyclooctene
• 别名: 顺-环辛烯; 环辛烯; cis-Cyclooctene; trans-Cyclooctene; Cyclooctene; cis-Cyclooctene; Cyclooctene

登记号

• CAS号: 931-87-3; 931-88-4
• EC号: 213-243-4; 213-245-5
• MDL号: MFCD00001753
• Beilstein号: 1280166; 1901031
• PubChem SID: 24847668; 24857862; 162221136
• PubChem CID: 638079
• Chemspider ID: 553642
• 维基百科标题: Cyclooctene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.1946278
• LogD (pH = 7.4): 3.1946278
• Log P: 3.1946278
• 摩尔折射率: 37.9246 cm^3
• 极化性: 14.547113 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -16 °C(lit.); -16°C; -16°C
• 沸点: 145-146 °C; 145-146 °C(lit.); 145-146°C; 32-34 °C/12 mmHg(lit.)
• 闪点: 24 °C; 25 °C; 25°C(77°F); 75.2 °F; 77 °F
• 密度: 0.846 g/mL; 0.846 g/mL at 25 °C(lit.); 0.848; 0.848 g/mL at 20 °C(lit.)
• 折射率: 1.4700; n20/D 1.469(lit.); n20/D 1.470

安全信息

• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3295; UN3295
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 10; 10-51/53-65; 10-65
• 安全公开号: 16-61-62; 16-62; 29-33
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS08; GHS09
• GHS警示词: Danger; Warning
• GHS危险声明: H226; H226-H304; H304-H226-H411-H401
• GHS警示性声明: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P301 + P310-P331
• 个人保护装置: 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

产品相关信息

• 纯度: ≥90% (GC); ≥99.5% (GC); 95%; 95%, stab.
• 级别: analytical standard; technical
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C8H14

详细说明

Sigma Aldrich - 125482

Other Notes
含有环辛烷
包装
25 mL in glass bottle

参考文献

• 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).