Methyl 9-oxononanoate

HCID 74732

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Basic information

CAS: 1931-63-1
Standard SMILES: COC(=O)CCCCCCCC=O
InChIKey: JMLYDLZRFNYHHO-UHFFFAOYSA-N
Molecular formula: C10H18O3
Average molar mass: 186.25 g/mol
Monoisotopic mass: 186.12559444

Overview

Methyl 9-oxononanoate is a fatty aldehyde.

Names & identifiers

Preferred name: Methyl 9-oxononanoate
IUPAC: methyl 9-oxononanoate
English name: 9-Oxo-nonanoic acid methyl ester
Molecular formula: C10H18O3
Molecular weight: 186.25

Names & synonyms

Methyl 9-oxononanoateRefChem:10895301931-63-19-OXO-NONANOIC ACID METHYL ESTERNonanoic acid, 9-oxo-,methyl esterMethyl azelaaldehydateMethyl 8-formyloctanoateNONANOIC ACID, 9-OXO-, METHYL ESTERAzelaaldehydic acid, methyl ester9-Oxononanoic acid methyl esterMethyl 9-Oxononanoate (90%)MFCD09031979

Show more names

HOC(CH2)7CO2Me9-Ketononanoic acid methyl ester8-Formyloctanoic acid methyl ester9-OXO-NONANOIC ACID METHYL ESTER ISO 9001：2015 REACH

Methyl 9-Oxononanoate (90per cent)Methyl9-oxononanoatemethyl 9-oxononanate8-carbomethoxyoctanalMethyl azelaaldehydrateAI3-25458SCHEMBL436881SCHEMBL7282104

Database identifiers

CAS: 1931-63-1
PubChem CID: 74732
DTXSID: DTXSID00172913
ChEBI: CHEBI:177721
Nikkaji: J337.416E

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 143

Physicochemical properties

Boiling point: 125 · 125-145 °C(Press: 9 Torr)
Density: 0.958 · 0.958±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Colourless
Stability: Air Sensitive, Hygroscopic
LogP: 1.92 · 1.920 (est)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338