2-乙基己酸

CH₃(CH₂)₃CH(C₂H₅)CO₂H

144.21

1750468

205-743-6

MFCD00002675

329747450

NA.24

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

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.

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.

100

analytical standard

4.98 (vs air)

<0.01 mmHg ( 20 ℃)
10 mmHg ( 115 ℃)

≥99.5% (GC)

699 °F

limited shelf life, expiry date on the label

1.04 %, 135 °F
8.64 %, 188 °F

HPLC: suitable
gas chromatography (GC): suitable

n20/D 1.425 (lit.)
n20/D 1.425

228 ℃ (lit.)

0.903 g/mL at 25 ℃ (lit.)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

neat

CCCCC(CC)C(O)=O

1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

OBETXYAYXDNJHR-UHFFFAOYSA-N

GHS08

Warning

H361d

P280

Repr. 2

10 - Combustible liquids

WGK 1

237.2 °F - closed cup

114 ℃ - closed cup

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter