Pelargonic acid

SFA9:0

  Overview

Stats

SFA
Type
9
Carbons
0
Double bonds
0
Bis-allylic sites
158.24
Weight · g/mol
12.4 °C
Melting point
C9H18O2
Formula

Also known as

IUPAC nonanoic acid

  At a Glance

Key Points

Nonanoic acid; a colorless, rancid-smelling acid whose free form is used commercially as a herbicide.

Source

Primarily from industrial.

Type

Medium-chain saturated fatty acid with 9 carbons and no double bonds.

Identification

  Synonyms

Common Name Pelargonic acid
IUPAC Name nonanoic acid
Traditional Name —
Other Synonyms No other synonyms recorded.

  External IDs

General References
Wikipedia Pelargonic_acid
Lipids
Lipid Maps LMFA01010009
Lipid Bank DFA0009
Swiss Lipids 000508821
PlantFA ID —
Food & Nutrition
FooDB FDB003306
INFOODS —
Chemistry / Compounds
PubChem CID 8158
CAS 112-05-0
ChEBI 29019
ChEMBL CHEMBL108436
ChemSpider 7866
InChIKey —
ZINC ID ZINC000001529234
NIKKAJI ID J1.991G
PDBe KNA
UCI (UniChem) 468073
SureChEMBL 21966
CCDC ISEPAX
NMRShiftDB 10008934
Metabolites & Pathways
HMDB HMDB0000847
METLIN 5810
RefMet ID —
RefMet Name —
MetaboLights ID MTBLS10446
BioCyc/MetaCyc CPD-8505
MetaNetX ID —
BiGG ID —
KEGG C01601
KNApSAcK C00030829
Reactome ID —
Drugs & Pharmacology
DrugBank —
DrugCentral —
BindingDB 50556776
Guide to Pharm —
Probes & Drugs PD002546
Clinical & Medical
SNOMED-CT —
MeSH C008776
NCIt Code C82932
Regulatory
NIH UNII (USA) 97SEH7577T
FDA SRS (USA) 97SEH7577T
NHPID (Canada) —
DTXSID (USA) DTXSID3021641
TGA Ing ID (Australia) —
Commercial Suppliers
MolPort Molport-000-881-522
eMolecules 529934
Mcule MCULE-4736597375
ChemicalBook CB9203118
MedChemExpress HY-N7057

Chemical Properties

Name(s):
Common Name Pelargonic acid
Simple Notation 9:0
Notation 9:0
IUPAC Name nonanoic acid
Structure:
Molecular C9H18O2
Structure CH3(CH2)7COOH
SMILES CCCCCCCCC(=O)O
Physical:
Weight 158.24 g/mol
Melting Point 12.4 °C
Reactivity
Double Bonds 0
Bis-Allylic Carbons 0
Beta-Oxidation
Beta Oxidation Cycles 3
ATP Yield (Net) 44 ATP