cyclohexene

• ChemBase编号: 126802
• 分子式: C6H10
• 平均质量: 82.1436
• 单一同位素质量: 82.07825032
• SMILES: C1CCC=CC1
• Canonical SMILES: C1CCC=CC1
• InChI: InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
• InChIKey: HGCIXCUEYOPUTN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cyclohexene
• IUPAC传统名: cyclohexene
• 别名: 四氢化苯; 环己烯; 1,2,3,4-Tetrahydrobenzene; Benzenetetrahydride; Cyclohex-1-ene; Hexanaphthylene; UN 2256; Cyclohexene; Tetrahydrobenzene; Cyclohexene

登记号

• CAS号: 110-83-8
• EC号: 203-807-8
• MDL号: MFCD00001539
• Beilstein号: 906737
• 默克索引号: 142727
• PubChem SID: 24847667; 162221130; 24867583
• PubChem CID: 8079
• CHEBI ID: 36404
• CHEMBL: 16396
• Chemspider ID: 7788
• 维基百科标题: Cyclohexene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.3054903
• LogD (pH = 7.4): 2.3054903
• Log P: 2.3054903
• 摩尔折射率: 28.7226 cm^3
• 极化性: 10.853355 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

• 溶解度: 250 mg/L in water
• 外观: Liquid
• 熔点: -103.5°C; -104 °C(lit.); -104°C
• 沸点: 82.98°C; 83 °C(lit.); 83-85°C
• 闪点: 10.4 °F; -12 °C; -12 °C (10 °F); -20°C(-4°F)
• 自燃点: 244 °C (471.2 °F); 590 °F
• 密度: 0.811; 0.811 g/mL at 25 °C(lit.); 0.8110 g/cm^3
• 折射率: 1.4460; 1.4465; n20/D 1.446; n20/D 1.446(lit.)
• 蒸汽压: 160 mmHg ( 20 °C); 8.93 kPa (20 °C)11.9 kPa (25 °C)
• 蒸汽密度: 2.8 (vs air)

安全信息

• RTECS编号: GW2500000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2256; UN2256
• 德国WGK号: 1
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-21/22-65; 11-22-65; R11, R19, R21/22
• 安全公开号: 16-29-33-36/37-62; 9-16-23-33-36-60-62; S16, S23, S24, S25, S33
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06; GHS08
• GHS警示词: Danger
• NFPA704:
  

  3

  1

  0
• 爆炸极限: 1–5 %; 5 %
• GHS危险声明: H225-H301-H304; H225-H302-H304-H311
• GHS警示性声明: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-P280-P301 + P310-P312-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 2256 3/PG 2

产品相关信息

• 纯度: ≥99.0% (GC); ≥99.5% (GC); ≥99.7% (GC); 99%
• 级别: analytical standard; puriss. p.a.; ReagentPlus®
• 蒸发残渣: ≤0.005%; ≤0.01%
• 痕量阳离子: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 其他组分: ~0.01% 2,6-di-tert-butyl-4-methylphenol as stabilizer
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C6H10

详细说明

Sigma Aldrich - 125431

包装
1 L in glass bottle
100 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 29240

包装
1, 2.5 L in glass bottle
500 mL in glass bottle

参考文献

• Protection of the phenolic OH of tyrosine as the cyclohexyl ether has been effected with BF₃ etherate. The group can be cleaved with HF or HBr/AcOH: J. Am. Chem. Soc., 100, 3559 (1978).
• Hydrogen donor in catalytic hydrogen-transfer reactions, usually with palladium. For reviews, see: Chem. Rev., 74, 567 (1974); 85, 129 (1985). Examples:
• Hydrogenolysis of benzyloxycarbonyl groups: Synthesis, 685 (1976). Simultaneous cleavage of benzyl and benzyloxycarbonyl groups: J. Chem. Soc., Perkin 1, 490 (1977). Cleavage of benzyl ethers: Synthesis, 396 (1981). With FeCl₃, reduction of aryl carbonyl groups to methylene: J. Chem. Soc., Chem. Commun., 757 (1976).
• Conditions have been described for work-up of the ozonide to give the monoacetal of the dialdehyde, the aldehydo-ester, or the dimethyl acetal of the methyl ester: Org. Synth. Coll., 7, 168 (1990).
• Undergoes allylic acetoxylation, catalyzed by Palladium(II) acetate, 10516, in the presence of MnO₂ and 1,4-benzoquinone: Org. Synth. Coll., 8, 137 (1993).