6-[(2-methylprop-2-enoyl)oxy]hexyl 2-methylprop-2-enoate

• ChemBase ID: 148849
• Molecular Formular: C14H22O4
• Molecular Mass: 254.32208
• Monoisotopic Mass: 254.15180918
• SMILES: CC(=C)C(=O)OCCCCCCOC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C
• InChI: InChI=1S/C14H22O4/c1-11(2)13(15)17-9-7-5-6-8-10-18-14(16)12(3)4/h1,3,5-10H2,2,4H3
• InChIKey: SAPGBCWOQLHKKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(2-methylprop-2-enoyl)oxy]hexyl 2-methylprop-2-enoate
• IUPAC Traditional name: 6-[(2-methylprop-2-enoyl)oxy]hexyl 2-methylprop-2-enoate
• Synonyms: 1,6-Hexanediol dimethacrylate; 1,6-己二醇二甲基丙烯酸酯

Database IDs

• CAS Number: 6606-59-3
• EC Number: 229-551-7
• MDL Number: MFCD00015425
• Beilstein Number: 1957290
• PubChem SID: 24865760; 162243022
• PubChem CID: 81080

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9103851
• LogD (pH = 7.4): 3.9103851
• Log P: 3.9103851
• Molar Refractivity: 69.5782 cm^3
• Polarizability: 27.568277 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: >315 °C(lit.)
• Flash Point: 109 °C; 228.2 °F
• Density: 0.995 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.458; n20/D 1.458(lit.)
• Vapor Pressure: 0.02 mmHg ( 100 °C)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: ≥90%; ≥90% (GC)
• Grade: Selectophore™
• Contains: 100 ppm hydroquinone as inhibitor
• Linear Formula: [H2C=C(CH3)CO2(CH2)3-]2

DETAILS

Sigma Aldrich - 411736

Packaging
100 mL in poly bottle

Sigma Aldrich - 52812

Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH