4-(2-hydroxyethyl)phenol

• ChemBase编号: 68801
• 分子式: C8H10O2
• 平均质量: 138.1638
• 单一同位素质量: 138.06807956
• SMILES: C(Cc1ccc(cc1)O)O
• Canonical SMILES: OCCc1ccc(cc1)O
• InChI: InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
• InChIKey: YCCILVSKPBXVIP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(2-hydroxyethyl)phenol
• IUPAC传统名: tyrosol
• 别名: 4-羟基苯乙醇; 对羟苯基乙醇; 2-(4-羟苯基)乙醇; 2-(4-羟基苯)乙醇; p-HPEA; 4-Hydroxyphenethyl alcohol; Tyrosol; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 4-Hydroxy-benzeneethanol; 2-(4-Hydroxyphenyl)ethyl Alcohol; NSC 59876; 2-(4-Hydroxyphenyl)ethanol; 2-(4-Hydroxyphenyl)ethan-1-ol; 4-Hydroxyphenethyl alcohol 98%; p-Hydroxyphenethyl alcohol; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenylethanol; Tyrosol; 4-(2-hydroxyethyl)phenol; 4-(2-Hydroxyethyl)phenol; Salidrosol

登记号

• CAS号: 501-94-0
• EC号: 207-930-8
• MDL号: MFCD00002902
• Beilstein号: 1859884
• PubChem SID: 24879912; 24887404; 162034531; 24851311
• PubChem CID: 10393
• CHEBI ID: 1879
• CHEMBL: 53566
• Chemspider ID: 9964
• 维基百科标题: Tyrosol

理论计算性质

• Acid pKa: 10.204033
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.1909834
• LogD (pH = 7.4): 1.1903143
• Log P: 1.1909919
• 摩尔折射率: 39.6098 cm^3
• 极化性: 15.152722 Å^3
• 极化表面积: 40.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Powder; White to Off-White Solid
• 熔点: 89-92 °C; 89-92 °C(lit.); 89-92°C; 89-92°C; 90-93 °C; 91–92 °C; 92 - 94°C; 92-94°C
• 沸点: 139°C/1mm; 158 °C at 4 Torr
• 疏水性(logP): 0.666

安全信息

• 保存条件: Refrigerator
• 保存注意事项: IRRITANT; Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37; 26-37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: >99.5% (GC); ≥97.0% (GC); 95%; 95+%; 97%; 98%
• 级别: analytical standard; purum
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: HOC6H4CH2CH2OH

详细说明

Sigma Aldrich - 188255

Biochem/physiol Actions
Antioxidant found in olive oil.
包装
5, 25 g in glass bottle

Sigma Aldrich - 56105

Biochem/physiol Actions
Antioxidant found in olive oil.

Sigma Aldrich - 79058

Biochem/physiol Actions
Antioxidant found in olive oil.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 79058.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - T947800

Phenolic antioxidant.

参考文献

• Perez-Trujillo, M., et al.: J. Agric. Food Chem., 58, 9129 (2010)
• Gregus, P., et al.: J. Pharm. Biomed. Anal., 53, 674 (2010)