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1002-62-6 molecular structure
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sodium decanoate

ChemBase ID: 111913
Molecular Formular: C10H19NaO2
Molecular Mass: 194.24643
Monoisotopic Mass: 194.12827413
SMILES and InChIs

SMILES:
[Na+].CCCCCCCCCC(=O)[O-]
Canonical SMILES:
CCCCCCCCCC(=O)[O-].[Na+]
InChI:
InChI=1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1
InChIKey:
FIWQZURFGYXCEO-UHFFFAOYSA-M

Cite this record

CBID:111913 http://www.chembase.cn/molecule-111913.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium decanoate
IUPAC Traditional name
potassium decoate
sodium decanoate
Synonyms
SODIUM CAPRATE
Sodium caprate
Capric acid sodium salt
Decanoic acid sodium salt
Sodium decanoate
十烷酸 钠盐
羊蜡酸 钠盐
癸酸钠
CAS Number
1002-62-6
EC Number
213-688-4
MDL Number
MFCD00066453
Beilstein Number
3572742
PubChem SID
24892670
162096866
PubChem CID
4457968

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4457968 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.9520197  H Acceptors
H Donor LogD (pH = 5.5) 2.9333653 
LogD (pH = 7.4) 1.1742302  Log P 3.5891707 
Molar Refractivity 60.3147 cm3 Polarizability 19.546532 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
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H2O: soluble0.1 g/mL, clear, colorless expand Show data source
Melting Point
~240 °C (dec.) expand Show data source
220°C expand Show data source
RTECS
HE0200000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% expand Show data source
≥98.0% (NT) expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3(CH2)8COONa expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05221694 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - C4151 external link
Application
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Sigma Aldrich - 21490 external link
Biochem/physiol Actions
Sodium caprate enhances the intestinal absorption of Berberine (a plant alkaloid with antidiabetic effect but with poor absorption) in 3 different models (in situ, in vitro, and in vivo models) 1. Moreover, sodium caprate enhances the hypoglycemic effect of Berberine in a type 2 diabetic model (Wistar rats fed a high-fat diet followed by streptozotocin injection.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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