Aliphatics
Pelargonic acid, sodium salt
壬酸钠
PHY-NP-12276 · Natural product research catalog
| Catalog number | PHY-NP-12276 |
|---|---|
| CAS number | 14047-60-0 |
| Molecular formula | C9H17NaO2 |
| Molecular weight | 180.223 g/mol |
| Chemical class | Aliphatics |
| Main reported source | Homo sapiens |
| Purity / assay | Min. 98% Other purity specifications available on inquiry. |
Chemical structure
Select a pack size
| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.
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Product information
Pelargonic acid, sodium salt is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.
For research use only. Not for human or veterinary use, diagnosis or treatment.
Names & identifiers
| IUPAC name | sodium nonanoate |
|---|---|
| SMILES | CCCCCCCCC(=O)[O-].[Na+] |
| InChIKey | LTOCMXUTASYUOC-UHFFFAOYSA-M |
| Subclass / scaffold | Fatty Acids and Conjugates：Branched fatty acids Unsaturated fatty acids |
| PubChem CID | 23674758 |
Computed properties
| Exact mass (Da) | 180.1126 | Predicted LogP | 2.8216 |
|---|---|---|---|
| Predicted TPSA (Ų) | 37.3 | H-bond donors | 1 |
| H-bond acceptors | 1 | Rotatable bonds | 7 |
Calculated values from the supplied dataset; not measured batch specifications.
View additional properties & classification
| Ring count | 0 |
|---|---|
| Aromatic rings | 0 |
| Fraction Csp³ | 0.889 |
| Synthetic accessibility score | 1.51 |
| QED score | 0.578 |
| Lipinski rule violations | 0 |
| NPClassifier pathway | Fatty acids |
| NPClassifier superclass | Fatty Acids and Conjugates |
| NPClassifier class | Branched fatty acids；Unsaturated fatty acids |
| Parent SMILES | CCCCCCCCC(=O)O |
| Parent formula | C9H18O2 |
| Parent molecular weight | 158.241 |
| Specified stereocenters | 0 |
| Unspecified stereocenters | 0 |
Reported natural occurrence
| Main reported source | Homo sapiens |
|---|---|
| Reported source families | Lamiaceae; Malvaceae; Asteraceae |
Reported natural occurrence does not establish the manufacturing origin of the supplied material.
View occurrence records & references
| LOTUS / Wikidata species | Homo sapiens[2]; Oecophylla smaragdina[2]; Prunus avium[2]; Sideritis amasiaca[2]; liquorice[2]; tomato[2]; Actaea simplex[1]; Ajania fastigiata[1]; Althaea armeniaca[1]; Althaea broussonetiifolia[1]; Althaea officinalis[1]; Anthemis aciphylla[1]; Arabidopsis thaliana[1]; Arnica montana[1]; Artemisia xerophytica[1] |
|---|---|
| All reported source families | Lamiaceae[12]; Malvaceae[10]; Asteraceae[8]; Ranunculaceae[4]; Brassicaceae[4]; Rosaceae[3] |
| Genus / family records | Fragaria[2]; Iris[1]; Streptomyces[1] |
| LOTUS species records | 81 |
| LOTUS reference records | 77 |
| COCONUT occurrence records | Acorus calamus; Acorus gramineus; Acorus tatarinowii; Actaea dahurica; Actaea heracleifolia; Actaea simplex; Ajania fastigiata; Akebia quinata; Akebia trifoliata; Althaea armeniaca; Althaea broussonetiifolia; Althaea officinalis; Alyssum argenteum; Angelica pubescens; Anthemis aciphylla; Anthemis aciphylla BOISS.var.discoidea BOISS; Aquilaria agallochum; Aquilaria sinensis; Arabidopsis thaliana; Arnica montana; Artemisia xerophytica; Brassica hirta; Bupleurum chinense; Caenorhabditis elegans; Callitropsis nootkatensis; Camellia sinensis; Camptotheca acuminata; Capsicum annuum; Castanopsis cuspidata; Chlamydomonas reinhardtii |
| COCONUT organism records | 143 |
| COCONUT identifier | CNP0128686.0 |
Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific COA available on request; no PDF published yet |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.
