产品说明
一般描述
2-Ethylhexanoic acid is one of the di(2-ethylhexyl)phthalate (DEHP) metabolites.
应用
2-Ethylhexanoic acid has been used as a reference standard for the determination of 2-ethylhexanoic acid in human urine by gas chromatography−mass spectrometry (GC-MS) in selected ion monitoring (SIM) mode. It may be used as a reference standard for the analysis of 2-ethylhexanoic acid in grape musts and skins as aroma compounds released by fast acid hydrolysis of flavor precursors by GC-MS technique and in Thai soy sauce by dynamic headspace (DHS) sampling, direct solvent extraction (DSE) and vacuum simultaneous steam distillation−solvent extraction (V−SDE) combined with GC-MS.
其他说明
Ion Mobility: TWCCSN2 value of 136.0 Å2 [M-H]-
The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.
TWCCS measurements are expected to be within 2% of this reference value.
P/N 02529 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.
基本信息
| 线性分子式 | CH3(CH2)3CH(C2H5)CO2H |
| 分子量 | 144.21 |
| Beilstein | 1750468 |
| EC 号 | 205-743-6 |
| MDL编号 | MFCD00002675 |
| PubChem化学物质编号 | 329747450 |
| NACRES | NA.24 |
产品性质
| 质量水平 | 100 |
| 等级 | analytical standard |
| 蒸汽密度 | 4.98 (vs air) |
| 蒸汽压 | <0.01 mmHg ( 20 ℃) 10 mmHg ( 115 ℃) |
| 测定 | ≥99.5% (GC) |
| 自燃温度 | 699 °F |
| 保质期 | limited shelf life, expiry date on the label |
| expl. lim. | 1.04 %, 135 °F 8.64 %, 188 °F |
| technique(s) | HPLC: suitable gas chromatography (GC): suitable |
| 折射率 | n n |
| bp | 228 ℃ (lit.) |
| 密度 | 0.903 g/mL at 25 ℃ (lit.) |
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| 格式 | neat |
| SMILES string | CCCCC(CC)C(O)=O |
| InChI | 1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
| InChI key | OBETXYAYXDNJHR-UHFFFAOYSA-N |
安全信息
| 象形图 |  |
| 警示用语： | Warning |
| 危险声明 | H361d |
| 预防措施声明 | P280 |
| 危险分类 | Repr. 2 |
| 储存分类代码 | 10 - Combustible liquids |
| WGK | WGK 1 |
| 闪点(F) | 237.2 °F - closed cup |
| 闪点(C) | 114 ℃ - closed cup |
| 个人防护装备 | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
