02529

2-Ethylhexanoic acid

analytical standard

• Sinonimo/i: 2-Ethylcaproic acid
• Formula condensata: CH₃(CH₂)₃CH(C₂H₅)CO₂H
• Numero CAS: 149-57-5
• Peso molecolare: 144.21
• Beilstein: 1750468
• Numero CE: 205-743-6
• Numero MDL: MFCD00002675
• Codice UNSPSC: 41116107
• ID PubChem: 329747450
• NACRES: NA.24

Proprietà

• Grado: analytical standard
• Livello qualitativo: 100
• Densità del vapore: 4.98 (vs air)
• Tensione di vapore: <0.01 mmHg ( 20 °C); 10 mmHg ( 115 °C)
• Saggio: ≥99.5% (GC)
• Temp. autoaccensione: 699 °F
• Durata: limited shelf life, expiry date on the label
• Limite di esplosione: 1.04 %, 135 °F; 8.64 %, 188 °F
• tecniche: HPLC: suitable; gas chromatography (GC): suitable
• Indice di rifrazione: n20/D 1.425 (lit.); n20/D 1.425
• P. ebollizione: 228 °C (lit.)
• Densità: 0.903 g/mL at 25 °C (lit.)
• applicazioni: cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care
• Formato: neat
• Stringa SMILE: 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); OBETXYAYXDNJHR-UHFFFAOYSA-N

Descrizione

Descrizione generale

2-Ethylhexanoic acid is one of the di(2-ethylhexyl)phthalate (DEHP) metabolites.[1]

Applicazioni

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.[2] 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[3] 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.[4]

Altre note

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.

Informazioni sulla sicurezza

• Pittogrammi: GHS08
• Avvertenze: Danger
• Indicazioni di pericolo: H360D
• Consigli di prudenza: P201 - P202 - P280 - P308 + P313 - P405 - P501
• Classi di pericolo: Repr. 1B
• Codice della classe di stoccaggio: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Classe di pericolosità dell'acqua (WGK): WGK 1
• Punto d’infiammabilità (°F): 237.2 °F - closed cup
• Punto d’infiammabilità (°C): 114 °C - closed cup
• Dispositivi di protezione individuale: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter