butyl prop-2-enoate

• ChemBase ID: 107444
• Molecular Formular: C7H12O2
• Molecular Mass: 128.16898
• Monoisotopic Mass: 128.08372962
• SMILES: CCCCOC(=O)C=C
• Canonical SMILES: CCCCOC(=O)C=C
• InChI: InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
• InChIKey: CQEYYJKEWSMYFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl prop-2-enoate
• IUPAC Traditional name: butyl acrylate
• Synonyms: n-BUTYL ACRYLATE; Butyl acrylate; Acrylic acid n-butyl ester; n-Butyl acrylate; 丙烯酸丁酯; 丙烯酸正丁酯

Database IDs

• CAS Number: 141-32-2
• EC Number: 205-480-7
• MDL Number: MFCD00009446
• Beilstein Number: 1749970
• Merck Index: 141539
• PubChem SID: 162088800; 24845193; 24845988; 24854065
• PubChem CID: 8846

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2360737
• LogD (pH = 7.4): 2.2360737
• Log P: 2.2360737
• Molar Refractivity: 35.9341 cm^3
• Polarizability: 14.1462145 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -64°C; -64°C
• Boiling Point: 145 °C(lit.); 145-146°C; 148°C
• Flash Point: 36 °C; 39°C(102°F); 96.8 °F
• Auto Ignition Point: 559 °F
• Density: 0.894 g/mL at 25 °C(lit.); 0.895; 0.898 g/ml; 0.899 g/mL at 20 °C
• Refractive Index: 1.4180; n20/D 1.418(lit.); n20/D 1.419
• Vapor Pressure: 3.3 mmHg ( 20 °C)
• Vapor Density: >1 (vs air)

Safety Information

• RTECS: UD3150000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 2348; UN2348
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38-43; R:10-36/37/38-43
• Safety Statements: 2-9; 9; S:9
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• Explode Limits: 9.9 %
• GHS Hazard statements: H226-H315-H317-H319-H335; H226-H315-H319-H317-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2348 3/PG 3

Product Information

• Purity: ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5% (GC); 98+%, stab. with up to 50ppm 4-methoxyphenol
• Grade: analytical standard; purum; SAJ first grade
• Contains: ~0.0015% hydroquinone monomethyl ether as stabilizer; 10-60 ppm monomethyl ether hydroquinone as inhibitor
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH2=CHCOO(CH2)3CH3

DETAILS

MP Biomedicals - 05203762

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 234923

Packaging
1 L in glass bottle
18 L in steel drum
5, 100 mL in glass bottle