4-(prop-2-enoyloxy)butan-2-yl prop-2-enoate

• ChemBase ID: 148268
• Molecular Formular: C10H14O4
• Molecular Mass: 198.21576
• Monoisotopic Mass: 198.08920893
• SMILES: CC(CCOC(=O)C=C)OC(=O)C=C
• Canonical SMILES: C=CC(=O)OCCC(OC(=O)C=C)C
• InChI: InChI=1S/C10H14O4/c1-4-9(11)13-7-6-8(3)14-10(12)5-2/h4-5,8H,1-2,6-7H2,3H3
• InChIKey: FQMIAEWUVYWVNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(prop-2-enoyloxy)butan-2-yl prop-2-enoate
• IUPAC Traditional name: 4-(prop-2-enoyloxy)butan-2-yl prop-2-enoate
• Synonyms: 1,3-Butanediol diacrylate; 1,3-丁二醇二丙烯酸酯

Database IDs

• CAS Number: 19485-03-1
• EC Number: 243-105-9
• MDL Number: MFCD00039821
• PubChem SID: 24865762; 162242444
• PubChem CID: 29635

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1293592
• LogD (pH = 7.4): 2.1293592
• Log P: 2.1293592
• Molar Refractivity: 51.4362 cm^3
• Polarizability: 20.226986 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 199.4 °F; 93 °C
• Density: 1.03 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.45(lit.)

Safety Information

• RTECS: AS5250000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2922
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 21-34-43
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H314-H317
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2

Product Information

• Purity: 98%
• Contains: 500 ppm hydroquinone as inhibitor
• Linear Formula: H2C=CHCO2CH2CH2CH(CH3)O2CCH=CH2

DETAILS

Sigma Aldrich - 411752

Packaging
25 mL in glass bottle