1-butoxybutane

• ChemBase编号: 92722
• 分子式: C8H18O
• 平均质量: 130.22792
• 单一同位素质量: 130.1357652
• SMILES: O(CCCC)CCCC
• Canonical SMILES: CCCCOCCCC
• InChI: InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
• InChIKey: DURPTKYDGMDSBL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-butoxybutane
• IUPAC传统名: di-N-butyl ether
• 别名: DBE CDR-级别; 二正丁醚; 丁醚; 二丁醚; DBE CDR-grade; n-Butyl ether; Di-n-butyl ether; 5-Oxanonane; Di(but-1-yl) ether; DBE; Butyl ether; Dibutyl ether

登记号

• CAS号: 142-96-1
• EC号: 205-575-3
• MDL号: MFCD00009461
• Beilstein号: 1732752
• 默克索引号: 141569
• PubChem SID: 24861268; 24856439; 162079420; 24846891; 24887523; 24846975
• PubChem CID: 8909

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.7723475
• LogD (pH = 7.4): 2.7723475
• Log P: 2.7723475
• 摩尔折射率: 40.7597 cm^3
• 极化性: 16.166618 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -95°C; -98 °C(lit.); -98°C
• 沸点: 141-143°C; 142-143 °C(lit.); 142-143°C
• 闪点: 25 °C; 25°C; 25°C(77°F); 77 °F
• 自燃点: 365 °F
• 密度: 0.764; 0.764 g/mL at 25 °C(lit.)
• 折射率: 1.399; 1.3990; n20/D 1.399; n20/D 1.399(lit.)
• 蒸汽压: 4.8 mmHg ( 20 °C)
• 蒸汽密度: 4.48 (vs air)

安全信息

• 保存注意事项: Flammable/Irritant/Air Sensitive/Light Sensitive/Store under Argon
• RTECS编号: EK5425000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1149; UN1149
• 德国WGK号: 2
• 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: 10-36/37/38-52/53
• 安全公开号: 61
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• 爆炸极限: 8.5 %
• GHS危险声明: H226-H315-H319-H335-H303-H402-H412; H226-H315-H319-H335-H412
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P273-P305 + P351 + P338
• 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 1149 3/PG 3

产品相关信息

• 纯度: ≥99%; ≥99.0% (GC); ≥99.3% (GC); ≥99.5% (GC); 99%; 99.3%
• 级别: anhydrous; produced by Wacker; puriss. p.a.; purum; ReagentPlus®
• 蒸发残渣: <0.0005%; ≤0.002%
• 杂质: <0.003% water; <0.005% water(100 mL pkg); ≤0.002% peroxides (as H2O2); ≤0.05% aromatic compounds (as xylene)
• 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
• 品质说明: low in aromatic compounds
• 线性分子式: [CH3(CH2)3]2O

详细说明

Sigma Aldrich - 10917

Other Notes
根据要求提供批量采购价

Sigma Aldrich - 80103

Other Notes
根据要求提供批量采购价
包装
1 kg in poly bottle

Sigma Aldrich - 110280

包装
1 L in glass bottle
20, 200 L in steel drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 271454

包装
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™