2-phenoxyethan-1-ol

• ChemBase编号: 89034
• 分子式: C8H10O2
• 平均质量: 138.1638
• 单一同位素质量: 138.06807956
• SMILES: O(c1ccccc1)CCO
• Canonical SMILES: OCCOc1ccccc1
• InChI: InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
• InChIKey: QCDWFXQBSFUVSP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-phenoxyethan-1-ol
• IUPAC传统名: phenoxyethanol
• 别名: 乙二醇一苯醚; 苯基乙二醇; 2-苯氧基乙醇; 1-羟基-2-苯氧乙烷; 2-苯氧基乙醇; 乙二醇苯醚; 苯氧乙醇; 2-Phenoxyethanol; PHE-G; PHE-S; PHE; PhG; 2-Phenoxyethanol; Phenoxyethanol; Phenoxytolarosol; Dowanol EP / EPH; Emery 6705; Rose ether; β-hydroxyethyl phenyl ether; Phenoxyethanol; β-PHENOXYETHANOL; Rose ether phenoxyethanol; Ethylene glycol monophenyl ether; Phenyl cellosolve; 1-Hydroxy-2-phenoxyethane; Phenooxy alcohol; Ethylene glycol phenyl ether; Phenoxytol; Phenyl monoglycol ether; Phenylglycol; 2-Phenoxyethanol; Ethylene glycol monophenyl ether; DOWANOL® EPh; Phenoxyethanolum

登记号

• CAS号: 122-99-6
• EC号: 204-589-7
• MDL号: MFCD00002857
• Beilstein号: 1364011
• 默克索引号: 147257
• PubChem SID: 162075920; 24871939; 24887218; 24898156; 24846661; 24880374
• PubChem CID: 31236
• CHEMBL: 1229846
• Chemspider ID: 13848467
• 美国药典/FDA物质标识码: HIE492ZZ3T
• 维基百科标题: Phenoxyethanol

理论计算性质

• Acid pKa: 15.102173
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.1254725
• LogD (pH = 7.4): 1.1254725
• Log P: 1.1254725
• 摩尔折射率: 38.8135 cm^3
• 极化性: 15.304339 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: colourless oily liquid
• 熔点: 11 - 13 °C; 11-13 °C; 11-13 °C(lit.); 11-13°C; 11-14°C; Nov-14°C
• 沸点: 128-130°C/20mm; 244-246 °C; 245°C; 245°C; 247 °C; 247 °C(lit.)
• 闪点: 113 °C (closed cup); 121 °C; 121°C; 121°C(249°F); 249.8 °F; 250 °F
• 密度: 1.102; 1.102 g/cm^3; 1.102 g/mL at 25 °C(lit.); 1.107 g/mL at 20 °C(lit.); 1.109 g/ml
• 折射率: 1.5370; n20/D 1.537(lit.); n20/D 1.539
• 蒸汽压: 0.01 mmHg ( 20 °C); 0.03 mm Hg at 25 °C.
• 蒸汽密度: 4.8 (vs air)

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Irritant
• RTECS编号: KM0350000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3271
• 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): III
• 澳大利亚Hazchem: 3Y
• 危险公开号: 22-36; R:22-36
• 安全公开号: 26; S:26
• 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: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H319
• GHS警示性声明: P280-P264-P305+P351+P338-P301+P312-P337+P313-P501A; P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: room temp

产品相关信息

• 纯度: ≥90%; ≥95.0%; ≥99%; ≥99% (GC); ≥99.5% (GC); 94%; 95+%; 98%; 99%
• 级别: analytical standard; certified reference material; Ph Eur; SAJ first grade
• 包装: pkg of 1.5 g
• 杂质: <10% diethylene glycol phenyl ether; ≤0.5% Phenol
• 有效期: (limited shelf life, expiry date on the label)
• 药典: testing & handling conforms to Pharmacopeia
• Pharmacopeia Traceability: traceable to PhEur P0950000; traceable to USP 1526200
• 线性分子式: C6H5OCH2CH2OH

详细说明

MP Biomedicals - 05218439

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150148

1 ml = approx. 1.11 g

Sigma Aldrich - 484318

包装
1 L in poly bottle
18 L in steel drum
Legal Information
Dow Chemical 制造™Dow Chemical Company 的商标
法律信息
DOWANOL 注册商标 The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - PHR1121

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.

Sigma Aldrich - P1126

包装
1 L in glass bottle
500 mL in glass bottle