butan-2-ol

• ChemBase编号: 105711
• 分子式: C4H10O
• 平均质量: 74.1216
• 单一同位素质量: 74.07316494
• SMILES: CCC(C)O
• Canonical SMILES: CCC(O)C
• InChI: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
• InChIKey: BTANRVKWQNVYAZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: butan-2-ol
• IUPAC传统名: 2-butanol
• 别名: 仲丁醇; 2-丁醇; (+/-)-2-丁醇; 2-丁醇, 无水; sec-Butanol; sec-Butyl alcohol 2-Butanol 2-Butyl alcohol; butan-2-ol; 2-Butanol; (±)-2-Butanol; (±)-2-Butanol; sec-Butyl Alcohol; 2-BUTANOL; (+)-2-Butanol; sec-Butanol; SEC-BUTYL ALCOHOL, CERTIFIED GRADE; 2-Hydroxybutane; 2-Butanol, anhydrous

登记号

• CAS号: 78-92-2
• EC号: 201-158-5
• MDL号: MFCD00004569
• Beilstein号: 773649; 1718764 (R); 1718763 (S); 1718765; 773649
• 默克索引号: 141541
• PubChem SID: 24859877; 24857740; 24890358; 24892080; 162092392; 24851650
• PubChem CID: 6568
• CHEBI ID: 35687
• CHEMBL: 45462
• Chemspider ID: 6320
• DrugBank ID: DB02606
• Gmelin ID: 1686; 396584 (R); 25655 (S)
• 医学主题词(MeSH): 2-butanol
• 维基百科标题: 2-Butanol

理论计算性质

• Acid pKa: 17.686255
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.7773283
• LogD (pH = 7.4): 0.7773283
• Log P: 0.7773283
• 摩尔折射率: 21.9527 cm^3
• 极化性: 8.715081 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 290 g dm^-3 in water
• 外观: Liquid
• 熔点: -115 °C(lit.); -115.15°C (158K); -115°C; ca. -89 - -108 °C; ca. -89 -108 °C
• 沸点: 97.85 - 99.85°C (371 - 373 K); 98 °C(lit.); 98-101°C; ca. 99 - 102 °C at 1013 hPa
• 闪点: 22–27 °C; 24 °C (closed cup and NFT 60103); 26°C(79°F); 27 °C; 80.6 °F
• 自燃点: 405 °C; 406 °C at 1013 hPa; 761 °F
• 密度: 0.808; 0.808 g cm^-3; 0.808 g/mL at 25 °C(lit.); 3.29 kg/m3 at 20 °C
• 折射率: 1.3970; 1.3978 (at 20 °C); n20/D 1.397; n20/D 1.397(lit.)
• 蒸汽压: 1.67 kPa (at 20 °C); 12.5 mmHg ( 20 °C); ca. 15.96 hPa at 20 °C (calculated)
• 蒸汽密度: 2.55 (air = 1); 2.6 (vs air)
• 分配系数: 0.683
• 热容: 197.1 J K^-1 mol^-1
• 标准摩尔燃烧焓 (ΔcH^o298): -2.6611–-2.6601 MJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -343.3–-342.1 kJ mol^-1
• 标准摩尔熵 (S^o298): 213.1 J K^-1 mol^-1

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic
• RTECS编号: EO1750000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1120; UN1120
• 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): 3; II; III
• 澳大利亚Hazchem: 2Y
• 危险公开号: 10-36/37-67; R:10-36/37-67; R10, R36/37, R67
• 安全公开号: 7/9-13-24/25-26-46; S:13-26-46-24/25-7/9; S2, S7/9, S13, S24/25, S26, S46
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 129
• TSCA收录: 是
• 欧盟危险品索引: 603-127-00-5
• GHS危险品标识: GHS exclamation mark; GHS flame; GHS02; GHS07
• GHS警示词: WARNING; Warning
• NFPA704:
  

  3

  1

  0
• 爆炸极限: 1.7–9.8%; 9.8 %
• GHS危险声明: 226, 319, 335, 336; H226-H319-H335 + H336; H226-H319-H335-H336
• GHS警示性声明: 261, 305+351+338; P261-P305 + P351 + P338; P262-P233-P301+P310-P305+P351+P338-P315-P403
• 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 1120 3/PG 3

产品相关信息

• 纯度: ≥98.0%; ≥98.0% (GC); ≥99%; ≥99% (GC); ≥99.0%; ≥99.5% (GC); ≥99.8% (GC); 99%; 99.5%
• 级别: analytical standard; anhydrous; JIS special grade; puriss. p.a.; purum; ReagentPlus®; SAJ first grade
• 包装: packaged under Argon in resealable ChemSeal? bottles
• 蒸发残渣: <0.0003%; ≤0.001%
• 杂质: <0.005% water; <0.01% ketone (as CH3COCH3); ≤0.001% non-volatile matter; ≤0.005% aldehyde (as CH3(CH2)2CHO); ≤0.01% free acid (as C3H7COOH); ≤0.1% 2-butanone; ≤0.1% isopropanol; ≤0.1% methyl ethyl ketone (GC); ≤0.1% tert.-butanol; ≤0.1% tert-butanol; ≤0.1% water; ≤0.2% 2-propanol; ≤0.2% di-n-butylether; ≤0.2% water (Karl Fischer)
• 痕量阳离子: Al: ≤0.5 mg/kg; B: ≤0.02 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; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: CH3CH2CH(OH)CH3

详细说明

MP Biomedicals - 02193816

(±)-2-Butanol; sec-Butyl Alcohol)

Sigma Aldrich - B85919

包装
1, 4 L in glass bottle
20 L in Pure-Pac™ 2
20 L in steel drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 294810

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