ethyl prop-2-enoate

• ChemBase ID: 123402
• Molecular Formular: C5H8O2
• Molecular Mass: 100.11582
• Monoisotopic Mass: 100.0524295
• SMILES: C(=O)(C=C)OCC
• Canonical SMILES: CCOC(=O)C=C
• InChI: InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
• InChIKey: JIGUQPWFLRLWPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl prop-2-enoate
• IUPAC Traditional name: ethyl acrylate
• Synonyms: Ethyl acrylate; ethyl acrylate; Acrylic acid ethyl ester; Ethyl propenoate; 丙烯酸乙脂; 乙基丙烯酸酯; 丙烯酸乙酯

Database IDs

• CAS Number: 140-88-5
• EC Number: 205-438-8
• MDL Number: MFCD00009188
• Beilstein Number: 773866
• Merck Index: 143759
• PubChem SID: 24886942; 24894702; 24845190; 162217755; 24901058
• PubChem CID: 8821
• CHEMBL: 52084
• Chemspider ID: 8490
• FEMA ID: 2418
• KEGG ID: C19238
• Unique Ingredient Identifier: 71E6178C9T
• Wikipedia Title: Ethyl_acrylate
• Council of Europe Number: 245
• Flavis Number: 9.037

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2689826
• LogD (pH = 7.4): 1.2689826
• Log P: 1.2689826
• Molar Refractivity: 26.8091 cm^3
• Polarizability: 10.472008 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.5 g/100 mL in water
• Apperance: Clear liquid
• Melting Point: -71 °C(lit.); -71°C; -71°C
• Boiling Point: 99 °C(lit.); 99.4°C; 99-100°C
• Flash Point: -1°C(30°F); 15°C (59°F); 46.4 °F; 8 °C
• Auto Ignition Point: 721 °F
• Density: 0.918 g/mL at 25 °C(lit.); 0.921 g/mL at 20 °C; 0.924; 0.9405 g/mL
• Refractive Index: 1.4060; n20/D 1.406; n20/D 1.406(lit.)
• Vapor Pressure: 31 mmHg ( 20 °C)
• Vapor Density: 3.5 (vs air)
• Organoleptic: fruity

Safety Information

• RTECS: AT0700000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1917; UN1917
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-36/37/38-43; R11 R20/21/22 R36/37/38 R43
• Safety Statements: (S2) S9 S16 S33 S36/37; 9-16-33-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  3

  2

  2
• Explode Limits: 12.1 %
• GHS Hazard statements: H225-H302-H312-H315-H317-H319-H332-H335; H225-H302-H312-H332-H315-H319-H317-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-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 1917 3/PG 2
• Storage Temperature: 2-8°C
• Regulation Compliance: FCC; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); 99%; 99%, stab. with ca 20ppm 4-methoxyphenol
• Grade: analytical standard; Kosher; NI; purum; SAJ first grade
• Contains: ~0.002% hydroquinone monomethyl ether as stabilizer; ≤220 ppm MEHQ as antioxidant; 10-20 ppm MEHQ as inhibitor
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH2=CHCOOC2H5

DETAILS

Sigma Aldrich - E9706

Packaging
1, 2 L in glass bottle
100 mL in glass bottle

Sigma Aldrich - W241806

Packaging
1 kg in glass bottle
10 kg in steel drum
1 sample in glass bottle
25 kg in comp drum