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About This Item
Linear Formula:
CH3(CH2)3CH(C2H5)CO2H
CAS Number:
Molecular Weight:
144.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
205-743-6
Beilstein/REAXYS Number:
1750468
MDL number:
Assay:
99%
Form:
liquid
vapor density
4.98 (vs air)
Quality Level
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
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.
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signalword
Danger
hcodes
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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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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| E29141-2L | 04061836696443 |
| E29141-1L | 04061833603062 |
