Nonanoic acid, 9-hydroxy-, methyl ester

HCID 292983

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Basic information

CAS: 34957-73-8
Standard SMILES: COC(=O)CCCCCCCCO
InChIKey: RIZOOQYPYGPBOC-UHFFFAOYSA-N
Molecular formula: C10H20O3
Average molar mass: 188.26 g/mol
Monoisotopic mass: 188.1412445

Names & identifiers

Preferred name: Nonanoic acid, 9-hydroxy-, methyl ester
IUPAC: methyl 9-hydroxynonanoate
English name: 9-Hydroxypelargonic acid methyl ester
Molecular formula: C10H20O3
Molecular weight: 188.26

Names & synonyms

Nonanoic acid, 9-hydroxy-, methyl esterRefChem:854601Methyl 9-hydroxynonanoate34957-73-88-METHOXYCARBONYLOCTANOL9-Hydroxypelargonic Acid Methyl Ester9-Hydroxynonanoic Acid Methyl EsterMFCD00191518Methyl 9-Hydroxypelargonate9-hydroxy-nonanoic acid methyl ester9-Hydroxy-n-nonanoic acid methyl ester9-Hydroxynonanoic Acid Methyl Ester; Methyl 9-Hydroxynonanoate; NSC 159261;

Show more names

NSC 159261Methyl9-Hydroxynonanoate>METHYL 9-HYDROXYPELARGONATEMETHYL 9-HYDROXY-N-NONANOATEHydroxypelargonicacidmethylester

8-carbomethoxyoctan-1-olmethyl-9-hydroxy-nonanoate8-Methoxycarbonyl-1-octanolMethyl 9-hydroxynonanoate #orb2939862SCHEMBL1194313DTXSID103035999-hydroxy-nonanoic acid-methyl ester

Database identifiers

CAS: 34957-73-8
PubChem CID: 292983
DTXSID: DTXSID10303599
Nikkaji: J262.054E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 123

Physicochemical properties

Boiling point: 272 °C · 272 °C
Density: 0 · 0,97 g/cm3
refractive index: 1.443 to · 1.4430 to 1.4460
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Chloroform, Ethyl Acetate
form: Oil
pka: 15.19 · 15.19±0.10(Predicted)
color: Pale Yellow
HS Code: 2918.19 · 2918.19.9000

Safety & regulation

Hazard information

Regulatory InformationNonanoic acid, 9-hydroxy-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard