butan-2-one

• ChemBase编号: 104338
• 分子式: C4H8O
• 平均质量: 72.10572
• 单一同位素质量: 72.05751488
• SMILES: CCC(=O)C
• Canonical SMILES: CCC(=O)C
• InChI: InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
• InChIKey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: butan-2-one
• IUPAC传统名: methyl(ethyl) ketone
• 别名: 甲乙酮; 甲基乙基酮; 2-丁酮; 2-丁酮, HPLC级; 2-丁酮, ACS; 2-Butanone; butan-2-one; 2-Butanone, HPLC Grade; 2-Butanone, ACS; 2-Butanone; Ethyl methyl ketone; MEK; METHYL ETHYL KETONE; METHYL ETHYL KETONE, ACS GRADE; METHYL ETHYL KETONE, HPLC/SPECTRO GRADE; Methyl ethyl ketone; Methylpropanone; Ethylmethylketone; Methylacetone; Butanone

登记号

• CAS号: 78-93-3
• EC号: 201-159-0; 200-659-6
• MDL号: MFCD00011648
• Beilstein号: 741880
• 默克索引号: 146072
• PubChem SID: 24860217; 24845730; 24872423; 24885343; 24861593; 24865166; 24900680; 24853792; 24862162; 24845294; 24846972; 162092473
• PubChem CID: 6569
• CHEBI ID: 28398
• CHEMBL: 15849
• Chemspider ID: 6321
• FEMA编号: 2170
• KEGG ID: C02845
• 美国药典/FDA物质标识码: 6PT9KLV9IO
• 维基百科标题: Butanone
• 欧洲委员会编号: 753
• Flavis Number: 7.053

理论计算性质

• Acid pKa: 19.680294
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.8068157
• LogD (pH = 7.4): 0.8068157
• Log P: 0.8068157
• 摩尔折射率: 20.8217 cm^3
• 极化性: 8.168545 Å^3
• 极化表面积: 17.07 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: 27.5 g/100 mL in water
• 外观: APHA: <15; APHA: ≤15; Colorless liquid; Liquid
• 熔点: -86°C; -86.4 °C; -87 °C(lit.); -87°C
• 沸点: 79.64°C; 80 °C; 80 °C(lit.); 80°C; ca. 78.5 - 81 °C at 1013 hPa
• 闪点: 12 - 14 °C; 26.6 °F; -3 °C; -3°C(26°F); -4 °C (closed cup and Directive 84/449/EEC, A.9); 53.6 - 57.2 °F; -9 °C
• 自燃点: 505 °C; 516 °C at 1013 (ASTM D2155); 960 °F
• 密度: 0.805; 0.805 g/mL at 25 °C(lit.); 0.8050 g/cm^3; ca. .805 - .807 g/cm^3 at 20 °C
• 折射率: 1.37880; 1.3790; n20/D 1.3770-1.3810; n20/D 1.379; n20/D 1.379(lit.)
• 蒸汽压: 101 hPa at 20 °C; 71 mmHg ( 20 °C)
• 蒸汽密度: 2.41 (Air = 1); 2.49 (vs air)
• 紫外吸收波长: λ: 330 nm Amax: 1.0; λ: 335 nm Amax: ≤0.30; λ: 340 nm Amax: ≤0.10; λ: 340 nm Amax: 0.10; λ: 350 nm Amax: ≤0.01; λ: 350-400 nm Amax: 0.01
• 粘度: 0.43 cP
• 感官: ethereal
• 透光率: 335 nm, ≥50%; 340 nm, ≥80%; 350 nm, ≥98%

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: EL6475000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1193; 1230; UN1193
• 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
• 澳大利亚Hazchem: 2YE
• 危险公开号: 11-23/24/25-39/23/24/25; 11-36-66-67; R:11-36-66-67; R11 R36 R66 R67
• 安全公开号: 16-36/37-45; 2-9-16; 7-16-36/37-45; 9-16; S:9-16; S2 S9 S16
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 127
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08
• GHS警示词: Danger
• NFPA704:
  

  3

  1
• 半数致死量: 6.86 mL/kg (oral, rat)
• 爆炸极限: 10.1 %
• GHS危险声明: H225-H301 + H311 + H331-H370; H225-H319-H336; H301 + H311 + H331-H370
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P260-P280-P301 + P310-P311; P210-P261-P305 + P351 + P338; P260-P280-P301 + P310-P311
• 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 1193 3/PG 2; UN 1230 3/PG 2
• 欧盟补充危害声明: Repeated exposure may cause skin dryness or cracking.
• 保存温度: 2-8°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515); FDA 21 CFR (172.859); FDA 21 CFR (175.105); FDA 21 CFR (175.320); FDA 21 CFR (177.1200)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥99%; ≥99% (GC); ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.7%; ≥99.9% (GC); 97%; 99%; 99.5+%; 99+%
• 浓度: 2000 μg/mL in methanol: water (9:1); 5000 μg/mL in methanol: water (9:1)
• 级别: ACS; ACS reagent; analytical standard; analytical standard, for environmental analysis; CHROMASOLV®; FG; for HPLC; Halal; HPLC; JIS special grade; Kosher; NI; puriss.; puriss. p.a.; purum; ReagentPlus®; SAJ first grade; spectrophotometric grade
• 包装: ampule of 1 mL
• 蒸发残渣: <0.0005%; ≤0.001%; ≤0.002%; ≤0.0025%
• 杂质: ≤0.0003% KMnO4 red. matter (as O); ≤0.0005 meq/g Titr. acid; ≤0.001% free acid (as CH3COOH); ≤0.001% non-volatile matter; ≤0.002% non-volatile matter; ≤0.003% free acid (as CH3COOH); ≤0.05% 2-butanol; ≤0.05% water (Karl Fischer); ≤0.1% water; ≤0.1% water (Karl Fischer); ≤0.2% water; ≤0.20% water
• 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; Cu: ≤0.05 mg/kg; Fe: ≤0.1 mg/kg; Fe: ≤0.5 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; Zn: ≤0.2 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• λ: H2O reference; neat
• 特征: standard type calibration
• 线性分子式: C2H5COCH3

详细说明

MP Biomedicals - 02155548

(2-Butanone) 1 ml = approx. 0.81 g

Sigma Aldrich - W217018

包装
1 kg in aluminum bottle
1 sample in glass bottle
8, 20 kg in comp drum

Sigma Aldrich - 360473

包装
1, 6×1, 2, 2.5, 4, 4×4 L in glass bottle
20 L in steel drum
500, 6×500 mL in glass bottle

Sigma Aldrich - 110264

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

Sigma Aldrich - 34861

包装
1, 6×1, 2, 4×2, 2.5, 4×2.5, 4×4 L in glass bottle
100 mL in glass bottle
50 L in Pure-Pac™ 2
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 676926

包装
1, 4, 4×4 L in aluminum bottle