3,6,9,12,15-pentaoxaheptacosan-1-ol

• ChemBase编号: 128858
• 分子式: C22H46O6
• 平均质量: 406.59704
• 单一同位素质量: 406.32943919
• SMILES: O(CCO)CCOCCOCCOCCOCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3
• InChIKey: LAPRIVJANDLWOK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,6,9,12,15-pentaoxaheptacosan-1-ol
• IUPAC传统名: 3,6,9,12,15-pentaoxaheptacosan-1-ol
• 别名: Dodecylpentaglycol; Laureth-5; Pentaethylene glycol monododecyl ether; C12E5; Dodecyl pentaethylene glycol ether; Polyoxyethylene (5) lauryl ether; Pentaethylene glycol monododecyl ether

登记号

• CAS号: 3055-95-6
• EC号: 221-281-8
• MDL号: MFCD00043064
• Beilstein号: 1797921
• PubChem SID: 24886992; 162223161
• PubChem CID: 18281
• Chemspider ID: 17268
• 维基百科标题: Pentaethylene_glycol_monododecyl_ether

理论计算性质

• Acid pKa: 15.121156
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 4.1269937
• LogD (pH = 7.4): 4.1269937
• Log P: 4.1269937
• 摩尔折射率: 114.1604 cm^3
• 极化性: 45.3376 Å^3
• 极化表面积: 66.38 Å^2
• 可自由旋转的化学键: 25
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Do you have solubility information on this product that you would like to share?
• 密度: 0.963 g/mL at 20 °C; 0.963 g/mL at 20 °C(lit.)

安全信息

• RTECS编号: SB0333332
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 37/38-41
• 安全公开号: 26-36/39
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H315-H318-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥98% (GC); ≥98.0% (GC)
• 简要说明: non-ionic
• 痕量阳离子: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cr: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤50 mg/kg; Mg: ≤50 mg/kg; Mn: ≤50 mg/kg; Na: ≤50 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• 产品线: BioXtra
• 线性分子式: CH3(CH2)11(OCH2CH2)5OH

详细说明

Sigma Aldrich - 76437

Application
Do you have application information on this product that you would like to share?