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Merck
CN

E29141

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24894490
EC Number:
205-743-6
Beilstein/REAXYS Number:
1750468
MDL number:
MFCD00002675
Assay:
99%
Form:
liquid

Key Documents

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vapor density

4.98 (vs air)

Quality Level

200

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.)

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

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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

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 Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM8379
BCCL5209
BCCK5497
BCCK8602
BCCJ4166

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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)
View All Related Papers

Global Trade Item Number

SKUGTIN
E29141-2L04061836696443
E29141-1L04061833603062

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