propyl prop-2-enoate

• ChemBase ID: 110954
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: CCCOC(=O)C=C
• Canonical SMILES: CCCOC(=O)C=C
• InChI: InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h4H,2-3,5H2,1H3
• InChIKey: PNXMTCDJUBJHQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl prop-2-enoate
• IUPAC Traditional name: 2-propenoic acid, propyl ester
• Synonyms: n-PROPYL ACRYLATE; Acrylic acid n-propyl ester; n-Propyl acrylate; 丙烯酸正丙酯

Database IDs

• CAS Number: 925-60-0
• EC Number: 213-120-5
• MDL Number: MFCD00048693
• Beilstein Number: 1744954
• PubChem SID: 162106482
• PubChem CID: 13550

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.791505
• LogD (pH = 7.4): 1.791505
• Log P: 1.791505
• Molar Refractivity: 31.3331 cm^3
• Polarizability: 12.307829 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 43-44°C/40mm
• Flash Point: 24°C(75°F)
• Density: 0.920
• Refractive Index: 1.4123

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: UN3272
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%, stab. with 0.1% 4-methoxyphenol

DETAILS

MP Biomedicals - 05217164

MP Biomedicals Rare Chemical collection