2-methylbutan-2-ol

• ChemBase编号: 108353
• 分子式: C5H12O
• 平均质量: 88.14818
• 单一同位素质量: 88.088815
• SMILES: CCC(C)(C)O
• Canonical SMILES: CCC(O)(C)C
• InChI: InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
• InChIKey: MSXVEPNJUHWQHW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methylbutan-2-ol
• IUPAC系统名: 2-Methylbutan-2-ol
• IUPAC传统名: 2-methyl-2-butanol
• 别名: 叔戊醇; 2-甲基-2-丁醇; 1,1-Dimethyl-1-propanol; tert-Amyl alcohol; Amylene hydrate; Dimethylethylcarbinol; tert-Pentyl alcohol; 2-Methyl-2-butanol; tert-Amyl alcohol; tert-Pentyl alcohol; 2-Methyl-2-butanol; t-AMYL ALCOHOL

登记号

• CAS号: 75-85-4
• EC号: 200-908-9
• MDL号: MFCD00004478
• Beilstein号: 1361351
• 默克索引号: 147140
• PubChem SID: 24849231; 162088900; 24851924; 24854418
• PubChem CID: 6405
• CHEMBL: 44658
• Chemspider ID: 6165
• KEGG ID: D02931
• 医学主题词(MeSH): tert-amyl+alcohol
• 美国药典/FDA物质标识码: 69C393R11Z
• 维基百科标题: 2-Methyl-2-butanol

理论计算性质

• 摩尔折射率: 26.5909 cm^3
• 极化性: 10.557932 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
• Acid pKa: 18.535208
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.057905
• LogD (pH = 7.4): 1.057905
• Log P: 1.057905

分子性质

理化性质

• 溶解度: 120 g dm^-3 in water
• 外观: Colourless liquid; liquid
• 熔点: -11.9°C; -12 °C(lit.); -9.15°C (264K); ca -12°C
• 沸点: 100.85 - 102.85°C (374 - 376 K); 101-103°C; 102 °C(lit.); 102°C
• 闪点: 19 °C; 20 °C; 20°C(68°F); 68 °F
• 自燃点: 437 °C; 819 °F
• 密度: 0.805; 0.805 g/mL at 25 °C(lit.); 0.809 g/ml; 805 mg cm^-3
• 折射率: 1.405; 1.4050; n20/D 1.405; n20/D 1.405(lit.)
• 蒸汽压: 1.6 kPa (at 20 °C); 12 mmHg ( 20 °C)
• 蒸汽密度: 3 (vs air)
• 分配系数: 1.095
• 气味: Camphorous, peppermint
• 标准摩尔燃烧焓 (ΔcH^o298): -3.3036–-3.3026 MJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -380.0–-379.0 kJ mol^-1
• 标准摩尔熵 (S^o298): 229.3 J K^-1 mol^-1

安全信息

• RTECS编号: SC0175000
• 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: 1105; UN1105
• 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: 11-20-37/38; R:11-20; R11, R20, R37/38
• 安全公开号: 46; S:9-16-24/25; S2, S46
• TSCA收录: 是
• 欧盟危险品索引: 603-007-00-2
• GHS危险品标识: GHS exclamation mark; GHS flame; GHS02; GHS07
• GHS警示词: DANGER; Danger
• NFPA704:
  

  3

  1

  0
• 爆炸极限: 9 %; 9%
• GHS危险声明: 225, 315, 332, 335; H225-H315-H332-H335; H225-H332-H315-H335
• GHS警示性声明: 210, 261; P210-P241-P303+P361+P353-P302+P352-P405-P501A; P210-P261
• 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 1105 3/PG 2

产品相关信息

• 纯度: ≥96.0% (GC); ≥99%; ≥99.5% (GC); 98%; 99%
• 级别: analytical standard; anhydrous; purum; ReagentPlus®
• 蒸发残渣: ≤0.0005%
• 杂质: ~1% 2-methyl-3-butanol; ≤0.003% water (Karl Fischer, all unit sizes greater than 100 mL); ≤0.005% water(100 mL pkg)
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: CH3CH2C(CH3)2OH

详细说明

MP Biomedicals - 05207077

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 240486

包装
5, 100 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 721123

Application
tert-Amyl alcohol is useful as organic solvent1,2 chemical intermediates for gasoline fuel additives3, food flavor4, pharmaceutical5,6 peroxy esters, ink composition, and stabilizer in rubber productions.
包装
1 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 152463

包装
1, 2, 2.5 L in glass bottle
18 L in steel drum
250 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC