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E29141 Sigma-Aldrich

2-Ethylhexanoic acid

99%

Synonym: 2-Ethylcaproic acid

  • CAS Number 149-57-5

  • Linear Formula CH3(CH2)3CH(C2H5)CO2H

  • Molecular Weight 144.21

  •  Beilstein/REAXYS Number 1750468

  •  EC Number 205-743-6

  •  MDL number MFCD00002675

  •  PubChem Substance ID 24894490

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
Quality Level   200
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.)
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

Description

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.

Packaging

1, 2 L in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS08  GHS08
Signal word 
Warning
Hazard statements 
Precautionary statements 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 1
RTECS 
MO7700000
Flash Point(F) 
237.2 °F - closed cup
Flash Point(C) 
114 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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