14-[(2-methylprop-2-enoyl)oxy]tetradecyl 2-methylprop-2-enoate

• ChemBase ID: 137915
• Molecular Formular: C22H38O4
• Molecular Mass: 366.53472
• Monoisotopic Mass: 366.2770097
• SMILES: CC(=C)C(=O)OCCCCCCCCCCCCCCOC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCCCCCCCCCCCCCCOC(=O)C(=C)C
• InChI: InChI=1S/C22H38O4/c1-19(2)21(23)25-17-15-13-11-9-7-5-6-8-10-12-14-16-18-26-22(24)20(3)4/h1,3,5-18H2,2,4H3
• InChIKey: PYLRGSOFJMYQNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 14-[(2-methylprop-2-enoyl)oxy]tetradecyl 2-methylprop-2-enoate
• IUPAC Traditional name: 14-[(2-methylprop-2-enoyl)oxy]tetradecyl 2-methylprop-2-enoate
• Synonyms: 1,14-Tetradecanediol dimethacrylate; 1,14-十四碳二醇二甲基丙烯酸酯

Database IDs

• CAS Number: 168473-14-1
• MDL Number: MFCD01321388
• PubChem SID: 162232175
• PubChem CID: 3612688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.4669347
• LogD (pH = 7.4): 7.4669347
• Log P: 7.4669347
• Molar Refractivity: 106.3862 cm^3
• Polarizability: 42.295418 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 0.935 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.462(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 43
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317
• GHS Precautionary statements: P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: technical grade
• Contains: 100 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: [H2C=C(CH3)CO2(CH2)7-]2