2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate

• ChemBase编号: 89680
• 分子式: C18H26O3
• 平均质量: 290.39724
• 单一同位素质量: 290.18819469
• SMILES: O(c1ccc(cc1)/C=C/C(=O)OCC(CCCC)CC)C
• Canonical SMILES: CCCCC(COC(=O)/C=C/c1ccc(cc1)OC)CC
• InChI: InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3
• InChIKey: YBGZDTIWKVFICR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate; 2-ethylhexyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
• IUPAC传统名: 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate; parsol
• 别名: 反式-4-甲氧基肉桂酸异辛酯; 2-Ethylhexyl trans-4-methoxycinnamate; 4-Methoxycinnamic acid 2-ethylhexyl ester; OMC; Octyl methoxycinnamate; 2-Ethylhexyl 4-methoxycinnamate; 2-Ethylhex-1-yl 3-(4-methoxyphenyl)prop-2-enoate; 2-Ethylhex-1-yl 3-(4-methoxyphenyl)acrylate; 2-Ethylhex-1-yl 4-methoxycinnamate; 2-Ethylhexyl 4-methoxycinnamate; Octinoxate; Ethylhexyl methoxycinnamate; Octinoxate; Uvinul MC80; (E)-3-(4-methoxyphenyl) prop-2-enoic acid 2-ethylhexyl ester; Octyl methoxycinnamate; 2-Ethylhexyl 3-(4-methoxyphenyl)acrylate

登记号

• CAS号: 83834-59-7; 5466-77-3
• EC号: 226-775-7
• MDL号: MFCD00072582
• Beilstein号: 5946632
• PubChem SID: 24867352; 162076543
• PubChem CID: 5355130
• ATC码: D02BA02
• CHEMBL: 1200608
• Chemspider ID: 4511170
• 美国药典/FDA物质标识码: 4Y5P7MUD51
• 维基百科标题: Octyl_methoxycinnamate

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.3802204
• LogD (pH = 7.4): 5.3802204
• Log P: 5.3802204
• 摩尔折射率: 86.4404 cm^3
• 极化性: 33.703293 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -25 °C
• 沸点: 198-200 °C; 198-200 °C/3 mmHg(lit.)
• 闪点: 113 °C; 193 °C; 193°C; 235.4 °F; 379.4 °F
• 密度: 1.01; 1.01 g/cm^3; 1.011 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.545; n20/D 1.545(lit.)

安全信息

• 保存注意事项: Irritant
• RTECS编号: UD3392732
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3; nwg
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H413
• GHS警示性声明: P261-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; Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (GC); 95+%; 98%; 98% (GC)
• 级别: analytical standard
• 其他组分: 600-1000 ppm BHT as stabilizer
• 有效期: (limited shelf life, expiry date on the label)
• Pharmacopeia Traceability: traceable to USP 1477900
• 线性分子式: CH3OC6H4CH=CHCO2CH2CH(C2H5)(CH2)3CH3
• Empirical Formula (Hill Notation): C18H26O3

详细说明

Sigma Aldrich - 78848

General description
OMC provides protection against UV induced cyclobutane pyrimidine dimer (CDP) formation, filtering UVB.1

Sigma Aldrich - 437174

包装
50, 250 mL in poly bottle