Skip to Content
Merck
CN
All Photos(1)

Documents

02529

Supelco

2-Ethylhexanoic acid

analytical standard

Synonym(s):

2-Ethylcaproic acid

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CH3(CH2)3CH(C2H5)CO2H
CAS Number:
149-57-5
Molecular Weight:
144.21
Beilstein:
1750468
EC Number:
205-743-6
MDL number:
MFCD00002675
UNSPSC Code:
41116107
PubChem Substance ID:
329747450
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor density

4.98 (vs air)

vapor pressure

<0.01 mmHg ( 20 °C)
10 mmHg ( 115 °C)

Assay

≥99.5% (GC)

autoignition temp.

699 °F

shelf life

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

refractive index

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

bp

228 °C (lit.)

density

0.903 g/mL at 25 °C (lit.)

application(s)

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

format

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

General description

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

Application

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.

Other Notes

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.

Pictograms

Health hazard
GHS08

Signal Word

Danger

Hazard Statements

H360D

Hazard Classifications

Repr. 1B

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Sorry, we don't have COAs for this product available online at this time.

If you need assistance, please contact Customer Support.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes.
Ibarz, et al.
Journal of Chromatography A, 1116(1-2), 217-229 (2006)
Simultaneous analysis of the di (2-ethylhexyl) phthalate metabolites 2-ethylhexanoic acid, 2-ethyl-3-hydroxyhexanoic acid and 2-ethyl-3-oxohexanoic acid in urine by gas chromatography-mass spectrometry.
Wahl, et al.
Journal of Chromatography. B, Biomedical Applications, 758(2), 213-219 (2001)
Asymmetric synthesis and teratogenic activity of (R)-and (S)-2-ethylhexanoic acid, a metabolite of the plasticizer di-(2-ethylhexyl) phthalate.
Hauck R-S, et al.
Life Sciences, 46(7), 513-518 (1990)
Claudia Di Tommaso et al.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 40(1), 38-47 (2010-02-27)
Lyophilisation is a common procedure to increase the long-term stability of pharmaceutical formulations. Its applicability to polymeric micelles is usually an issue because of the aggregation of materials during freeze-drying steps. The feasibility of this process was studied on polymeric
R Gaudin et al.
International archives of occupational and environmental health, 81(8), 959-966 (2007-12-22)
The aim of this study was to perform a biological monitoring survey of workers exposed to di(2-ethylhexyl)phthalate (DEHP) in a factory using polyvinyl chloride plastisols and to contribute additional occupational data of exposure particularly sparse in the industrial sectors where
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service