2-Ethyl Hexanoic Acid AR

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CAS Number

149-57-5

Chemical Information

2-Ethylhexanoic Acid

2-Ethylhexanoic acid is a branched-chain fatty acid.

CAS Number	149-57-5
PubChem CID	8697
IUPAC Name	2-ethylhexanoic acid
Molecular Formula	C8H16O2
Molecular Weight	144.21
XLogP	2.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	99

SMILES

CCCCC(CC)C(=O)O

InChI

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

InChIKey

OBETXYAYXDNJHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149-57-5

CID: 8697

Formula: C8H16O2

MW: 144.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.21
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
085885-01	2-Ethyl Hexanoic Acid for Synthesis (Ethyl Caproic Acid, Octoic Acid)
523965	2-Ethyl Hexyl Acrylate AR
523105	Ethyl Acetoacetate AR
522925-01	Ethyl Acetate "Dry" AR
580105-01	2-Mercapto Benzoic Acid AR
517045-01	2,6- Dipicolinic Acid AR
514115-01	2,2’-Dimethyl Butyric Acid AR
665965-01	Tungstic Acid AR
640205-01	Silicotungstic Acid AR
461405-01	Barbituric Acid AR

Catalog	Name
AR-H01118-01	2-Ethyl Hexanoic Acid
TRC-E918736-100MG	2-(Ethyl-d5)hexanoic Acid
105320 500	2-Ethyl Hexanoic Acid for Synthesis (Ethyl Caproic Acid, Octoic Acid)
OR480340	(2S) -2-Amino-2-ethyl-hexanoic acid
OR480353	(2R) -2-Amino-2-ethyl-hexanoic acid
sc-283654	3-Amino-4-ethyl-hexanoic acid
TRC-D460723-25MG	(2S)-2,6-Diisothiocyanato-Hexanoic Acid Ethyl Ester
422186-01	(2S) -2,6-Diisothiocyanato-Hexanoic Acid Ethyl Ester
MBS9022893-01	(S)-2-(Fmoc-amino)-4-ethyl-hexanoic acid
CSB-DT2401	(S) -2- (Fmoc-amino) -4-ethyl- hexanoic acid