Home > Compound List > Compound details
1219589-15-7 molecular structure
click picture or here to close

potassium (16-2H1)hexadecanoate

ChemBase ID: 136063
Molecular Formular: C16H31KO2
Molecular Mass: 294.51444
Monoisotopic Mass: 294.19611191
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCC(=O)[O-].[K+]
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)[O-].[K+]
InChI:
InChI=1S/C16H32O2.K/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:
MQOCIYICOGDBSG-UHFFFAOYSA-M

Cite this record

CBID:136063 http://www.chembase.cn/molecule-136063.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium (16-2H1)hexadecanoate
IUPAC Traditional name
potassium (16-2H1)hexadecanoate
Synonyms
Hexadecanoic acid-16-d potassium salt
Palmitic acid-16-d potassium salt
Potassium hexadecanoate-16-d
Potassium palmitate-16-d
十六烷酸-16-d 钾盐
十六烷酸钾-16-d
棕榈酸-16-d 钾盐
棕榈酸钾-16-d
CAS Number
1219589-15-7
MDL Number
MFCD16621468
PubChem SID
162230334
PubChem CID
71309575

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
720100 external link Add to cart Please log in.
Data Source Data ID
PubChem 71309575 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
285 °C (dec.) expand Show data source
Mass Shift
M+1 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 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
Purity
97% (CP) expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Mol. Weight
mol wt 295.50 by atom % calculation expand Show data source
Linear Formula
CH2D(CH2)14CO2K expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 720100 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle