E29141

2-Ethylhexanoic acid

Name: 2-Ethylhexanoic acid
Brand: ALDRICH

99%

Synonym(s):

2-Ethylcaproic acid

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All Photos(2)

About This Item

Linear Formula:

CH₃(CH₂)₃CH(C₂H₅)CO₂H

CAS Number:

149-57-5

Molecular Weight:

144.21

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24894490

EC Number:

205-743-6

Beilstein/REAXYS Number:

1750468

MDL number:

MFCD00002675

Product Name

2-Ethylhexanoic acid, 99%

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

vapor density

4.98 (vs air)

vapor pressure

<0.01 mmHg ( 20 °C)
10 mmHg ( 115 °C)

assay

99%

form

liquid

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.)

Quality Level

200

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Related Categories

Organic Building Blocks

Application

2-Ethylhexanoic acid can be used:

As a reactant in esterification , decarboxylative alkynylation , and preparation of alkyl coumarins via decarboxylative coupling reactions.
In the organocatalytic medium for the preparation of various 3,4-dihydropyrimidin-2(1H)-ones/thiones by Biginelli reaction.

pictograms

GHS08

signalword

Danger

hcodes

H360D

pcodes

P201 - P202 - P280 - P308 + P313 - P405 - P501

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

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Esterification of aliphatic acids with olefin promoted by Bronsted acidic ionic liquids

Gu Y, et al.

J. Mol. Catal. A: Chem., 212(1-2), 71-75 (2004)

Novel and efficient organocatalytic biginelli reaction using 2-ethylhexanoic acid

Hekmatshoar R, et al.

Gazi University Journal of Science, 25(3), 617-621 (2012)

Direct C-3 alkylation of coumarins via decarboxylative coupling with carboxylic acids

Jafarpour F, et al.

New. J. Chem., 43(24), 9328-9332 (2019)

Silver-catalyzed decarboxylative alkynylation of aliphatic carboxylic acids in aqueous solution

Liu X, et al.

Journal of the American Chemical Society, 134(35), 14330-14333 (2012)

Iron (III)-catalyzed direct synthesis of diphenylmethyl esters from 2-diphenylmethoxypyridine

Tran Van H, et al.

Synthetic Communications, 212(1-2), 1-9 (2019)

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