propanoic acid

• ChemBase编号: 3416
• 分子式: C3H6O2
• 平均质量: 74.07854
• 单一同位素质量: 74.03677943
• SMILES: CCC(=O)O
• Canonical SMILES: CCC(=O)O
• InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
• InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: propanoic acid
• IUPAC传统名: propanoic acid
• 别名: 丙酸 溶液; 丙酸 溶液; 丙酸根 IC 标准溶液; 初油酸; 丙酸; Propanoic Acid; Sodium propionate; PROPIONIC ACID SODIUM SALT; Propionic acid solution; Acid C3; Propionic acid solution; Propionate standard for IC; Propanyl acid; Propionic acid; PROPIONIC ACID, CERTIFIED GRADE; Propionic Acid; Ethanecarboxylic Acid; Methylacetic Acid; Propanoic Acid; PROPIONIC ACID

登记号

• CAS号: 79-09-4; 137-40-6
• EC号: 201-176-3; 273-079-4; 205-290-4; 231-791-2
• MDL号: MFCD00002756
• Beilstein号: 506071
• 默克索引号: 147825
• PubChem SID: 24901396; 46508742; 24873259; 24865136; 24845375; 160966855; 24887812; 24889994; 24878189; 24901395; 24868009; 24898668; 24898196
• PubChem CID: 1032
• CHEBI ID: 30768
• CHEMBL: 14021
• Chemspider ID: 1005
• DrugBank ID: DB03766
• FEMA编号: 2924
• 维基百科标题: Propanoic_acid
• 欧洲委员会编号: 3c; 3
• Flavis Number: 8.003
• E编码: E280

理论计算性质

JChem

• Acid pKa: 4.754671
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.3392157
• LogD (pH = 7.4): -2.115821
• Log P: 0.47719014
• 摩尔折射率: 17.2706 cm^3
• 极化性: 6.8326755 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.31
• LOG S: 0.68
• 溶解度: 3.52e+02 g/l

分子性质

理化性质

• 溶解度: miscible in water
• 外观: ≤10, APHA:; APHA: ≤20; colourless liquid
• 熔点: -21°C; -21°C; 22.4 °C; -24--23 °C(lit.); ca. 210 °C
• 沸点: 140.7 - 141.6 °C; 140-141°C; 141 °C; 141 °C(lit.); 141°C
• 闪点: > 250 °C (Open cup); 129.2 °F; 327 K, 54 °C; 50 °C (closed cup and DIN 51755); 51°C(123°F); 54 °C
• 自燃点: 485 °C (DIN 51794); 955 °F
• 密度: .992 g/cm^3 at 20 °C; 0.99 g/cm3; 0.99 g/mL at 25 °C(lit.); 0.992; 0.993 g/mL at 25 °C(lit.); 0.995 g/mL at 25 °C; bulk density ca. 300 - 600 kg/m3
• 折射率: 1.3870; n20/D 1.340; n20/D 1.386; n20/D 1.386(lit.)
• 蒸汽压: 2.4 mmHg ( 20 °C); 5 hPa at 20 °C; Zero (does not form vapor).
• 蒸汽密度: 2.55 (vs air); 2.56 (air = 1)
• 紫外吸收波长: λ: 260 nm Amax: 0.04; λ: 280 nm Amax: 0.02
• pKa: 4.87
• 粘度: 10 mPa·s
• pH值: 2-3 (25 °C)

安全信息

• 保存条件: Room Temperature (15-30°C); Room Temperature (15-30°C), Desiccate
• RTECS编号: UE595000; UE5950000; UF7525000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1848; 3463; UN3463
• 德国WGK号: 1; nwg
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II; III
• 澳大利亚Hazchem: 2W
• 危险公开号: 10-34; 34; R:10-34-53; R:27-36/37/38; R34
• 安全公开号: 23-36-45; S:16-23-29-36-45; S:25-26-36/37/39; S1/2 S23 S36 S45
• 欧盟危险货物分类: C9
• 欧盟危险识别号(EUHIN): 8B
• 美国ERG指导号: 132
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• 主要危害: Corrosive
• NFPA704:
  

  2

  3
• 爆炸极限: 12.1 %
• GHS危险声明: H226-H314; H314-H226
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Gloves; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, Gloves, Goggles
• RID/ADR: UN 3463 8/PG 2
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (178.1010); FDA 21 CFR (184.1081)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥99%; ~99%; ≥98.0%; ≥99%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.8% (GC); 98.5%; 98.7%; 99%; 99.5%
• 浓度: 1.0 M in H2O; 1.000 g/L in H2O
• 级别: ACS reagent; analytical standard; eluent additive for LC-MS; feed grade; FG; Halal; Kosher; natural; NI; puriss.; puriss. p.a.; purum; SAJ first grade
• 包装: ampule of 1000 mg
• 适用性: passes test for LC-MS; suitable for insect cell culture
• 蒸发残渣: ≤0.01%
• 杂质: ≤0.002% Carbonyl compounds; ≤0.10% Readily oxidizable substances (as HCOOH); ≤0.15% water; ≤0.25% water (Karl Fischer); insoluble matter, passes filter test
• 痕量阳离子: Al: ≤0.5 mg/kg; Al: ≤1 mg/kg; Ba: ≤0.1 mg/kg; Ba: ≤1 mg/kg; Bi: ≤0.1 mg/kg; Bi: ≤1 mg/kg; Ca: ≤0.5 mg/kg; Ca: ≤5 mg/kg; Cd: ≤0.05 mg/kg; Cd: ≤1 mg/kg; Co: ≤0.02 mg/kg; Co: ≤1 mg/kg; Cr: ≤0.1 mg/kg; Cr: ≤1 mg/kg; Cu: ≤0.02 mg/kg; Cu: ≤1 mg/kg; Fe: ≤0.5 mg/kg; Fe: ≤1 mg/kg; Fe: ≤10 mg/kg; heavy metals (as Pb): ≤0.001%; K: ≤0.5 mg/kg; K: ≤20 mg/kg; Li: ≤0.1 mg/kg; Li: ≤1 mg/kg; Mg: ≤0.1 mg/kg; Mg: ≤1 mg/kg; Mn: ≤0.02 mg/kg; Mn: ≤1 mg/kg; Mo: ≤0.1 mg/kg; Mo: ≤1 mg/kg; Na: ≤1 mg/kg; Na: ≤20 mg/kg; Ni: ≤0.1 mg/kg; Ni: ≤1 mg/kg; Pb: ≤0.1 mg/kg; Pb: ≤1 mg/kg; Sr: ≤0.1 mg/kg; Sr: ≤1 mg/kg; Zn: ≤0.1 mg/kg; Zn: ≤1 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• λ: neat
• 产品线: BioUltra
• 线性分子式: CH3CH2COOH

详细说明

MP Biomedicals - 02151955

(Propanoic Acid) Free Acid Purity: ≥99% 1 ml = approx. 0.99 g

MP Biomedicals - 02102746

Free Acid
1ml= 0.99 g

MP Biomedicals - 02151956

(Propanoic Acid) Free Acid Purity: 98.5% 1 ml = approx. 0.99 g

MP Biomedicals - 02102924

Fungicide, mold preventative
Sodium Salt
Crystalline
Purity: ~99%

DrugBank - DB03766

Drug information: experimental

Sigma Aldrich - 49916

Other Notes
LC-MS 洗脱液添加剂1

Sigma Aldrich - 02717

Preparation Note
用丙酸和 H2O 制备
General description
采用 0.45μm 膜式过滤器过滤

Sigma Aldrich - P1386

包装
1 L in glass bottle
500 mL in glass bottle

Sigma Aldrich - W292400

包装
1 kg in poly bottle
10kg 密闭塑料桶包装；样品，1kg 玻璃瓶包装
1 sample in glass bottle
10, 25 kg in comp drum

Sigma Aldrich - W292419

包装
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in comp drum

Sigma Aldrich - P5561

Application
用于昆虫细胞培养，抑制霉菌生长。
包装
1 L in glass bottle

Sigma Aldrich - 537047

包装
1, 2.5, 4 L in glass bottle

Sigma Aldrich - 402907

包装
100, 500 mL in glass bottle