nonadecan-2-one

• ChemBase ID: 110312
• Molecular Formular: C19H38O
• Molecular Mass: 282.50442
• Monoisotopic Mass: 282.29226584
• SMILES: CCCCCCCCCCCCCCCCCC(=O)C
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)C
• InChI: InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3
• InChIKey: IEDKVDCIEARIIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadecan-2-one
• IUPAC Traditional name: 2-nonadecanone
• Synonyms: n-Heptadecyl methyl ketone; n-HEPTADECYL METHYL KETONE; Heptadecyl methyl ketone; 2-Nonadecanone; 2-十九酮; 甲基十七烷基甲酮; 2-十九烷酮

Database IDs

• CAS Number: 629-66-3
• EC Number: 211-102-1
• MDL Number: MFCD00026671
• Beilstein Number: 1708703
• PubChem SID: 24873897; 162095867
• PubChem CID: 69423

CALCULATED PROPERTIES

• Acid pKa: 19.643448
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.4753456
• LogD (pH = 7.4): 7.4753456
• Log P: 7.4753456
• Molar Refractivity: 89.8367 cm^3
• Polarizability: 35.849636 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 54-56°C
• Flash Point: >100°C(212°F); 100 °C; 212 °F

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0%; tech. 80%
• Linear Formula: CH3(CH2)16COCH3

DETAILS

MP Biomedicals - 05214517

MP Biomedicals Rare Chemical collection