oxiran-2-ylmethanol

• ChemBase编号: 87948
• 分子式: C3H6O2
• 平均质量: 74.07854
• 单一同位素质量: 74.03677943
• SMILES: O1CC1CO
• Canonical SMILES: OCC1CO1
• InChI: InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
• InChIKey: CTKINSOISVBQLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: oxiran-2-ylmethanol
• IUPAC传统名: glycidol
• 别名: 2,3-环氧-1-丙醇; 环氧乙烷甲醇; 缩水甘油; 缩水甘油; (±)-Glycidol; (±)-Oxirane-2-methanol; Glycidol; (±)-Glycidol; Glycidol; 2,3-Epoxypropan-1-ol; 2-(Hydroxymethyl)oxirane; Epihydrin alcohol; 3-Hydroxy-1,2-propenoxide; (±)-Glycidol, (±)-Oxirane-2-methanol; 2,3-Epoxy-1-propanol; Glycerolglycide; 2,3-EPOXYPROPANOL-1; 3-Hydroxypropylene oxide; Glycidol; oxiran-2-ylmethanol; 2-Oxiranemethanol; Oxiranemethanol; (RS)-Glycidol; (+/-)-2,3-Epoxy-1-propanol; (+/-)-Glycidol; 1-Hydroxy-2,3-epoxypropane; Epiol OH; Glycide; Glycidyl Alcohol; NSC 46096; Oxiran-2-ylmethanol; Oxiranylmethanol; Racemic Glycidol; dl-Glycidol

登记号

• CAS号: 556-52-5
• EC号: 209-128-3
• MDL号: MFCD00005147
• Beilstein号: 383562
• PubChem SID: 24873271; 24895233; 162074988
• PubChem CID: 11164
• CHEBI ID: 30966
• Chemspider ID: 10691
• KEGG ID: C10920
• 维基百科标题: Glycidol

理论计算性质

• Acid pKa: 14.602878
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.67731047
• LogD (pH = 7.4): -0.67731047
• Log P: -0.67731047
• 摩尔折射率: 17.006 cm^3
• 极化性: 6.8989635 Å^3
• 极化表面积: 32.76 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: Chloroform; Ethyl Acetate
• 外观: Clear Colorless Liquid; Viscous liquid
• 熔点: 34 - 36°C; -54°C
• 沸点: 167°C (decomp.); 61-62 °C/15 mmHg(lit.); 61-62°C/15mm
• 闪点: 177.8 °F; 66°C (150.8°F); 81 °C; 81°C
• 自燃点: 780 °F
• 密度: 1.1143 g/cm3; 1.117; 1.117 g/mL at 25 °C(lit.)
• 折射率: 1.433; n20/D 1.432; n20/D 1.433(lit.)
• 蒸汽压: 0.9 mmHg ( 25 °C)
• 蒸汽密度: 2.15 (vs air)
• 疏水性(logP): -0.96

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Toxic/Mutagenic/Carcinogenic/Teratogenic/Moisture Sensitive/Store under Argon/Keep Cold
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2810
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 45-60-21/22-23-36/37/38-68
• 安全公开号: 53-26-36/37-45
• GHS危险品标识: GHS06; GHS08
• GHS警示词: Danger
• NFPA704:
  

  2

  4

  3
• 半数致死量: 420 mg/kg (oral, rat); 1980 mg/kg (dermal, rabbit)
• GHS危险声明: H302-H312-H315-H319-H331-H335-H341-H350-H360F
• GHS警示性声明: P201-P261-P280-P305 + P351 + P338-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 2810 6.1/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥85% (T); 95%; 96%
• 级别: technical
• 杂质: ≤2% diglycidyl ether
• Empirical Formula (Hill Notation): C3H6O2

详细说明

MP Biomedicals - 05214658

MP Biomedicals Rare Chemical collection

Sigma Aldrich - G5809

包装
5, 100, 500 g in glass bottle

Sigma Aldrich - 49931

Other Notes
综述1,2

Toronto Research Chemicals - G615700

Stabilizer in manufacturing of vinyl polymers; intermediate in synthesis of glycerol, glycidyl ethers, and amines; additive for oil and synthetic hydraulic fluids; epoxy resin diluent.

参考文献

• Hiles, R.A., et al.: Food Cosmet. Toxicol., 19, 347 (1981)
• Thompson, E.D., et al.: Food Chem. Toxicol., 22, 665 (1981)