propane-1,2-diol

• ChemBase编号: 89668
• 分子式: C3H8O2
• 平均质量: 76.09442
• 单一同位素质量: 76.0524295
• SMILES: OCC(C)O
• Canonical SMILES: OCC(O)C
• InChI: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
• InChIKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: propane-1,2-diol
• IUPAC传统名: 1,2-propanediol; propylene glycol
• 别名: 1,2-丙二醇; 1,2-丙二醇, ACS; 聚丙二醇 3,000; 聚丙二醇 4,000; 聚丙二醇 400; 聚丙二醇 1000; 聚丙二醇 2,000; 1,2-丙二醇; 丙二醇; 丙二醇; α-propylene glycol; 1,2-Dihydroxypropanl; methyl ethyl glycol (MEGl; methylethylene glycol; Pl; Sirlenl; Dowfrost; propane-1,2-diol; 1,2-Propanediol; (+/-)-Propylene glycol; 1,2-Propyleneglycol; (±)-Propylene glycol; 1,2-Dihydroxypropane; 1,2-Propanediol, ACS; Polypropylene glycol 3,000; Polypropylene glycol 4,000; Polypropylene glycol 400; Polypropylene glycol 1,000; Polypropylene glycol 2000; Propylenglycolum; Propylene Glycol; PROPYLENE GLYCOL, ACS GRADE; (S)-(+)-1,2-PROPANEDIOL; 1,2-Propanediol; PROPYLENE GLYCOL; Propylene glycol; 1,2-Propanediol

登记号

• CAS号: 4254-15-3; 57-55-6; 25322-69-4
• EC号: 500-039-8; 200-338-0
• MDL号: MFCD00064272; MFCD01779680; MFCD00084446; MFCD01779683; MFCD01779687; MFCD01779690
• Beilstein号: 1340498
• 默克索引号: 147855
• PubChem SID: 24898528; 162076531; 24848147; 24867745; 24849863; 24864713; 24887958; 24901410; 24847508
• PubChem CID: 1030
• CHEBI ID: 16997
• ATC码: QA16QA01
• CHEMBL: 286398
• Chemspider ID: 13835224
• FEMA编号: 2940
• 美国药典/FDA物质标识码: 6DC9Q167V3
• 维基百科标题: Propylene_glycol
• 欧洲委员会编号: 4212
• E编码: E490

理论计算性质

• Acid pKa: 14.470763
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.79210407
• LogD (pH = 7.4): -0.79210407
• Log P: -0.79210407
• 摩尔折射率: 18.9724 cm^3
• 极化性: 7.5336413 Å^3
• 极化表面积: 40.46 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: fully miscible in acetone; fully miscible in chloroform; fully miscible in diethyl ether; fully miscible in ethanol; fully miscible in water; Miscible with water, acetone, chloroform. Soluble in ether
• 外观: APHA: ≤10; Liquid
• 熔点: -59°C (-74.2°F); -60 °C; -60 °C(lit.); -60°C; -60°C
• 沸点: 186-188°C; 187 °C(lit.); 187°C; 187.9 °C at 1013 hPa; 188.2°C (370.76°F)
• 闪点: 103 °C (closed cup); 103 °C; 107°C(225°F); 194°C(381°F); 217.4 °F
• 自燃点: 400 °C at 1013 hPa; 779 °F
• 密度: 1.002; 1.036; 1.036 g/cm3; 1.036 g/mL at 25 °C(lit.); 1.04 g/cm^3 at 20 °C
• 折射率: 1.4320; 1.4510; n20/D 1.431-1.433; n20/D 1.432(lit.); n20/D 1.433
• 蒸汽压: .11 hPa at 20 °C; 0.08 mmHg ( 20 °C)
• 蒸汽密度: 2.62 (air = 1); 2.62 (vs air)
• 热导率: 0.34 W/m-K (50% H2O @ 90°C)

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 保存注意事项: Hygroscopic
• RTECS编号: TR6130000; TY2000000; TY6300000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: R:30-36/37/38
• 安全公开号: S:7-25-26-37/39; S24 S25
• TSCA收录: 是
• NFPA704:
  

  1

  0

  0
• 爆炸极限: 12.5 %
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Regulation Compliance: FCC; FDA 21 CFR (175.300); FDA 21 CFR (175.320); FDA 21 CFR (176.180); FDA 21 CFR (176.210)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥98.0% (GC); ≥99%; ≥99.0%; ≥99.5%; ≥99.5% (GC); ≥99.7% (GC); 98%; 98+%; 99%; 99.5%
• 级别: ACS; ACS reagent; analytical standard; Halal; Kosher; Ph Eur; puriss. p.a.; purum; ReagentPlus®; SAJ first grade; SAJ special grade
• 包装: ampule of 1000 mg
• 适用性: complies for appearance of solution; meets USP testing specifications
• 燃烧残渣: <0.005% (as SO4); ≤0.005%; ≤0.005% (as SO4)
• 蒸发残渣: ≤0.005%
• 杂质: ≤0.0005 meq/g Titr. acid; ≤0.0005% heavy metals (as Pb); ≤0.002% free alkali (as NaOH); ≤0.003% free acid (as CH3COOH); ≤0.1% water; ≤0.2% water; ≤0.2% water (Karl Fischer); acidic reac. impurities, complies; organic volatile impurities, complies (GC); oxidizing substances, complies; reducing matter, complies; residual solvents, complies
• 痕量阳离子: Ca: ≤5 mg/kg; Cd: ≤1 mg/kg; Co: ≤1 mg/kg; Cr: ≤1 mg/kg; Cu: ≤1 mg/kg; Fe: ≤1 mg/kg; K: ≤20 mg/kg; Mg: ≤1 mg/kg; Mn: ≤1 mg/kg; Na: ≤20 mg/kg; Ni: ≤1 mg/kg; Pb: ≤1 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤1 mg/kg; chloride (Cl-): ≤1 ppm; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤20 mg/kg; sulfate (SO42-): ≤50 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• 品质说明: meets analytical specification of Ph. Eur., BP, USP
• 药典: testing & handling conforms to Pharmacopeia
• Pharmacopeia Traceability: traceable to USP 1576708
• 线性分子式: CH3CH(OH)CH2OH

详细说明

MP Biomedicals - 02151957

(1,2-Propanediol) 1 ml = approx. 1.04 g

Sigma Aldrich - W294004

包装
1 kg in poly bottle
1 sample in glass bottle
10, 25 kg in poly drum

Sigma Aldrich - 82280

Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 82280.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - 16033

包装
在惰性气体中装瓶

Sigma Aldrich - 398039

包装
2 L in poly bottle
25, 500 mL in poly bottle

Sigma Aldrich - 241229

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

Sigma Aldrich - 134368

包装
1, 3 kg in poly bottle
17 kg in VerSA-Flow™
50 kg in comp drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - P4347

包装
4 L in poly bottle
500 mL in poly bottle