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Merck

W515302

2-Ethylhexanoic acid

≥99%

Synonym(s):

2-Ethylcaproic acid

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About This Item

Linear Formula:
CH3(CH2)3CH(C2H5)CO2H
CAS Number:
149-57-5
Molecular Weight:
144.21
NACRES:
NA.21
Flavis number:
8.078
PubChem Substance ID:
24901913
UNSPSC Code:
12164502
EC Number:
205-743-6
MDL number:
MFCD00002675
Beilstein/REAXYS Number:
1750468
Organoleptic:
cucumber
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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InChI key

OBETXYAYXDNJHR-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCC(CC)C(O)=O

biological source

synthetic

vapor density

4.98 (vs air)

vapor pressure

<0.01 mmHg ( 20 °C), 10 mmHg ( 115 °C)

assay

≥99%

autoignition temp.

699 °F

expl. lim.

1.04 %, 135 °F, 8.64 %, 188 °F

refractive index

n20/D 1.425 (lit.)

bp

228 °C (lit.)

density

0.903 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

cucumber

Quality Level

300, 400

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Disclaimer

For R&D or non-EU Food use. Not for retail sale.

pictograms

Health hazard
GHS08

signalword

Danger

hcodes

H360D

Hazard Classifications

Repr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

237.2 °F - closed cup

flash_point_c

114 °C - closed cup

ppe

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

149-57-5

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP2359
SHBN9323
SHBM5333
MKBX4252V
MKCC1542

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Elizabeth Grillo Fernandes et al.
Biomacromolecules, 5(4), 1200-1205 (2004-07-13)
The increasing effort on development of bio-based polymeric materials in recent years is motivated by the basic concept of meeting the sustainability criteria for industrial development in the third millennium. Within this framework, our research group is currently involved in
I Svechnikova et al.
The Journal of endocrinology, 194(3), 603-609 (2007-09-01)
Phthalate esters are known to exert harmful effects on mammalian reproduction and fertility, but their potential adverse effects on the hormonal functions of the ovary have not yet been elucidated in detail. Here, we investigated the effects of di-(2-ethylhexyl) phthalate
H G Wahl et al.
Journal of chromatography. B, Biomedical sciences and applications, 758(2), 213-219 (2001-08-07)
A gas chromatographic-mass spectrometric method was developed for the quantitative analysis of the three Di(2-ethylhexyl)phthalate (DEHP) metabolites, 2-ethylhexanoic acid, 2-ethyl-3-hydroxyhexanoic acid and 2-ethyl-3-oxohexanoic acid in urine. After oximation with O-(2,3,4,5,6-pentafluorobenzyl)-hydroxylamine hydrochloride and sample clean-up with Chromosorb P filled glass tubes
S Elss et al.
Food additives and contaminants, 21(8), 811-814 (2004-09-17)
After simultaneous distillation-extraction (SDE) of commercial baby foods (n = 20) and fruit juices (n = 15) (among them 15 and eight products labelled 'organic', respectively) from 11 different suppliers, analyses performed by coupled capillary gas chromatography-mass spectrometry (GC-MS) revealed
Qian Zhang et al.
Nanoscale, 2(7), 1256-1259 (2010-07-22)
We report the synthesis of a series of monodispersed Bi-doped PbTe nanocrystals with tunable morphologies by using a doping precursor of bismuth(III) 2-ethylhexanoate. The as-synthesized Pb(1-x)Bi(x)Te (x = 0.005, 0.010, 0.015, 0.020) nanocrystals are characterized by X-ray diffraction, X-ray photoelectron
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