10-hydroxydecanoic acid

• ChemBase ID: 77201
• Molecular Formular: C10H20O3
• Molecular Mass: 188.264
• Monoisotopic Mass: 188.1412445
• SMILES: OCCCCCCCCCC(=O)O
• Canonical SMILES: OCCCCCCCCCC(=O)O
• InChI: InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)
• InChIKey: YJCJVMMDTBEITC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-hydroxydecanoic acid
• IUPAC Traditional name: 10-hydroxydecanoic acid
• Synonyms: 10-Hydroxydecanoic acid; NSC 15139; 10-Hydroxydecanoic acid; 10-羟基癸酸

Database IDs

• CAS Number: 1679-53-4
• EC Number: 216-848-1
• MDL Number: MFCD00010510
• PubChem SID: 24863681; 162042074
• PubChem CID: 74300

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4966867
• LogD (pH = 7.4): -0.26244837
• Log P: 2.1524923
• Molar Refractivity: 51.4063 cm^3
• Polarizability: 20.293112 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-77 °C(lit.); 75-77°C

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: technical grade
• Impurities: <15% intermolecular dilactone
• Linear Formula: HO(CH2)9CO2H

DETAILS

Sigma Aldrich - H6261

Application
Reactant involved in:
• Synthesis of copolymers of acrylamide and sodium acryloyloxydecanoate1
• Macrolactonization for preparation of Sansalvamide A2
• Studies of chain length selectivity for cutinase catalyzed polycondensation reactions3
• Ruthenium-catalyzed esterification followed by macrocyclization4
• Synthesis of anhydrides and esters5

Sigma Aldrich - 379700

Packaging
5 g in glass bottle
500 mg in glass bottle
Application
Reactant involved in:
• Synthesis of copolymers of acrylamide and sodium acryloyloxydecanoate1
• Macrolactonization for preparation of Sansalvamide A2
• Studies of chain length selectivity for cutinase catalyzed polycondensation reactions3
• Ruthenium-catalyzed esterification followed by macrocyclization4
• Synthesis of anhydrides and esters5