4-(prop-2-enoyloxy)butyl prop-2-enoate

• ChemBase ID: 148593
• Molecular Formular: C10H14O4
• Molecular Mass: 198.21576
• Monoisotopic Mass: 198.08920893
• SMILES: C=CC(=O)OCCCCOC(=O)C=C
• Canonical SMILES: C=CC(=O)OCCCCOC(=O)C=C
• InChI: InChI=1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2
• InChIKey: JHWGFJBTMHEZME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(prop-2-enoyloxy)butyl prop-2-enoate
• IUPAC Traditional name: butanediol diacrylate
• Synonyms: 1,4-Butanediol diacrylate; Tetramethylene glycol diacrylate; 1,4-Butylene diacrylate; 1,4-丁二醇二丙烯酸酯

Database IDs

• CAS Number: 1070-70-8
• EC Number: 213-979-6
• MDL Number: MFCD00014940
• PubChem SID: 162242768; 24865761
• PubChem CID: 70613

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.230147
• LogD (pH = 7.4): 2.230147
• Log P: 2.230147
• Molar Refractivity: 51.662 cm^3
• Polarizability: 20.226986 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 83 °C/0.3 mmHg(lit.); 83°C/0.3mm
• Flash Point: >113 °C; >235.4 °F; 64°C(147°F)
• Density: 1.051 g/mL at 25 °C(lit.); 1.055-1.105
• Refractive Index: n20/D 1.456(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); X
• UN Number: 1760
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 21-34-43
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H311-H317-H314-H318-H227; H312-H314-H317
• GHS Precautionary statements: P210-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P280-P305 + P351 + P338-P310
• RID/ADR: UN 1760 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%; 99+% (Reactive Esters), stab. with 100-105 ppm hydroquinone
• Grade: technical grade
• Contains: ~75 ppm hydroquinone as inhibitor
• Linear Formula: (H2C=CHCO2CH2CH2-)2

DETAILS

Sigma Aldrich - 411744

Packaging
25, 100 mL in glass bottle