02529

2-エチルヘキサン酸

analytical standard

• 別名: 2-エチルカプロン酸
• 化学式: CH₃(CH₂)₃CH(C₂H₅)CO₂H
• CAS番号: 149-57-5
• 分子量: 144.21
• Beilstein: 1750468
• EC Number: 205-743-6
• MDL番号: MFCD00002675
• UNSPSCコード: 41116107
• PubChem Substance ID: 329747450
• NACRES: NA.24

特性

• グレード: analytical standard
• 品質水準: 100
• 蒸気密度: 4.98 (vs air)
• 蒸気圧: <0.01 mmHg ( 20 °C); 10 mmHg ( 115 °C)
• アッセイ: ≥99.5% (GC)
• 自己発火温度: 699 °F
• シェルフライフ: limited shelf life, expiry date on the label
• expl. lim.: 1.04 %, 135 °F; 8.64 %, 188 °F
• テクニック: HPLC: suitable; gas chromatography (GC): suitable
• 屈折率: n20/D 1.425 (lit.); n20/D 1.425
• bp: 228 °C (lit.)
• 密度: 0.903 g/mL at 25 °C (lit.)
• アプリケーション: cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care
• フォーマット: neat
• SMILES記法: 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

詳細

詳細

2-Ethylhexanoic acid is one of the di(2-ethylhexyl)phthalate (DEHP) metabolites.

アプリケーション

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.

その他情報

Ion Mobility: ^TWCCS_N2 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.

安全性情報

• ピクトグラム: GHS08
• シグナルワード: Danger
• 危険有害性情報: H360D
• 注意書き: P201 - P202 - P280 - P308 + P313 - P405 - P501
• 危険有害性の分類: Repr. 1B
• 保管分類コード: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 1
• 引火点(°F): 237.2 °F - closed cup
• 引火点(℃): 114 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter