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408-35-5 molecular structure
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sodium hexadecanoate

ChemBase ID: 137267
Molecular Formular: C16H31NaO2
Molecular Mass: 278.40591
Monoisotopic Mass: 278.22217451
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCC(=O)[O-].[Na+]
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)[O-].[Na+]
InChI:
InChI=1S/C16H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1
InChIKey:
GGXKEBACDBNFAF-UHFFFAOYSA-M

Cite this record

CBID:137267 http://www.chembase.cn/molecule-137267.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium hexadecanoate
IUPAC Traditional name
sodium n-hexadecanoate
Synonyms
Hexadecanoic acid sodium salt
Palmitic acid sodium salt
Sodium palmitate
十六烷酸 钠盐
棕榈酸 钠盐
棕榈酸钠
CAS Number
408-35-5
EC Number
206-988-1
MDL Number
MFCD00002749
Beilstein Number
3575882
PubChem SID
24886952
24899061
162231531
PubChem CID
2735111

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2735111 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.9520197  H Acceptors
H Donor LogD (pH = 5.5) 5.600777 
LogD (pH = 7.4) 3.8416421  Log P 6.2565827 
Molar Refractivity 87.9207 cm3 Polarizability 30.60571 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
283-290 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
1 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.5% expand Show data source
95.0% (NT) expand Show data source
98% expand Show data source
Linear Formula
CH3(CH2)14COONa expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P9767 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
Sodium palmitate is the sodium salt of palmitic acid. Palmitic acid is a common saturated fatty acid and produced during fatty acid synthesis.
Sigma Aldrich - 76165 external link
Application
Palmitic acid is used to study effects on ER stress, cell death, apolipoprotein B synthesis, degradation, and secretion in cultured cells.
Used to investigate effects on ER stress and cell death.
Biochem/physiol Actions
Palmitic acid induces ER stress and cell death via effects on ER luminal calcium stores in H4IIE liver cells and primary hepatocytes 1.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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