methyl nonadecanoate

• ChemBase ID: 104436
• Molecular Formular: C20H40O2
• Molecular Mass: 312.5304
• Monoisotopic Mass: 312.30283052
• SMILES: CCCCCCCCCCCCCCCCCCC(=O)OC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCC(=O)OC
• InChI: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
• InChIKey: BDXAHSJUDUZLDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl nonadecanoate
• IUPAC Traditional name: methyl nonadecanoate
• Synonyms: Nonadecanoic acid methyl ester; METHYL NONADECANOATE; Methyl nonadecanoate; Methyl nonadecanoate; NONADECANOIC ACID METHYL ESTER; 十九烷酸甲酯; 正十九酸甲酯

Database IDs

• CAS Number: 1731-94-8
• EC Number: 217-056-9
• MDL Number: MFCD00009011
• Beilstein Number: 1788184
• PubChem SID: 24897732; 162091826; 24886659
• PubChem CID: 15610

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.7361827
• LogD (pH = 7.4): 7.7361827
• Log P: 7.7361827
• Molar Refractivity: 95.6557 cm^3
• Polarizability: 38.353783 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 37-40 °C(lit.); 37-41 °C
• Flash Point: >113 °C; >235.4 °F

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥98% (GC); ≥98.0% (GC); ≥98.5% (GC); 98%; 99%
• Grade: analytical standard; puriss.
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)17COOCH3

DETAILS

MP Biomedicals - 05211469

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155935

(Methyl nonadecanoate) Purity: 99% Crystalline

Sigma Aldrich - N5377

包装
1, 5, 10 g in glass bottle