Sodium caprylate- (Sodium octanoate)

CAT: 0063-21121001-100gSize: 100 gDry Ice: NoHazardous: No

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CAT#:0063-21121001-100gSize:100 g

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CAS Number

1984-06-1

Molecular Formula

CH3 (CH2) 6COONa

Molecular Weight

166.19

Formulation

CH3 (CH2) 6COONa

Chemical Information

Sodium octanoate

Sodium octanoate is an organic sodium salt comprising equal numbers of sodium and octanoate ions. It contains an octanoate.

CAS Number	1984-06-1
PubChem CID	23664772
IUPAC Name	sodium octanoate
Molecular Formula	C8H15NaO2
Molecular Weight	166.19
Topological Polar Surface Area	40.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	94

SMILES

CCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1

InChIKey

BYKRNSHANADUFY-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1984-06-1

CID: 23664772

Formula: C8H15NaO2

MW: 166.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.19
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	166.09697400
Monoisotopic Mass	166.09697400
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	94.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
77969456	Sodium thiomethoxide (Sodium methyl mercaptide)
10878741-01	Sodium bisulfite (Sodium hydrogen sulfite)
17812623-5kg	Sodium hydrogen carbonate (Sodium bicarbonate)
10878741-500g	Sodium bisulfite (Sodium hydrogen sulfite)
17812623-1kg	Sodium hydrogen carbonate (Sodium bicarbonate)
17812623-500g	Sodium hydrogen carbonate (Sodium bicarbonate)
17812623-01	Sodium hydrogen carbonate (Sodium bicarbonate)
77969456-5g	Sodium thiomethoxide (Sodium methyl mercaptide)
10878741-1kg	Sodium bisulfite (Sodium hydrogen sulfite)
90022565	Carboxymethylcellulose Sodium

Catalog	Name
MBS394666-01	Sodium Caprylate
sc-212944A	Sodium octanoate
HY-W015339S2-01	Octanoate-d15 (sodium)
HY-W015339S1-01	Octanoate-d3 (sodium)
S960046	Sodium Octanoate-d15
HY-W015339-01	Octanoate, 99% (sodium)
HY-W015339S	Octanoate-13C (sodium)
42215-01	Sodium Caprylate extrapure, 99%
RM-S150801-01	Sodium Caprylate EP Impurity A
sc-229311	Sodium octanoate-1-13C