ethyl but-2-enoate

• ChemBase ID: 109683
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: CCOC(=O)/C=C/C
• Canonical SMILES: CCOC(=O)/C=C/C
• InChI: InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3
• InChIKey: ZFDIRQKJPRINOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl but-2-enoate; ethyl (2E)-but-2-enoate
• IUPAC Traditional name: 2-butenoic acid, ethyl ester
• Synonyms: ETHYL Trans-2-BUTENOATE; (E)-ethyl but-2-enoate; Ethyl crotonate; Ethyl trans-2-butenoate; Ethyl crotronate; Ethyl trans-2-butenoate; ETHYL CROTONATE; Crotonic acid ethyl ester; Ethyl 2-butenoate; 巴豆酸乙酯; 巴豆酸乙酯; 反式-2-丁烯酸乙酯

Database IDs

• CAS Number: 623-70-1
• EC Number: 210-808-7
• MDL Number: MFCD00009289
• Beilstein Number: 635834
• PubChem SID: 24848484; 24856937; 24850227; 162095272; 24901729
• PubChem CID: 429065
• FEMA ID: 3486
• Council of Europe Number: 2244
• Flavis Number: 9.248

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6556176
• LogD (pH = 7.4): 1.6556176
• Log P: 1.6556176
• Molar Refractivity: 32.4826 cm^3
• Polarizability: 12.307829 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 141-143°C; 142-143 °C(lit.)
• Flash Point: 2 °C; 2°C(36°F); 35.6 °F
• Density: 0.918; 0.918 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.424(lit.); n20/D 1.425
• Vapor Density: 3.9 (vs air)
• Organoleptic: ethereal; wine-like

Safety Information

• RTECS: GQ3500000
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 1862; UN1862
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-34; R:36
• Safety Statements: 16-26-36/37/39-45; 9-16-20-26-33-36/37/39-45-60; S:26
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H225-H314-H318-H303
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-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 1862 3/PG 2
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥95.0% (GC); ≥96%; 96%; 98%; 99%
• Grade: FG; Halal; Kosher; NI; purum
• Linear Formula: CH3CH=CHCOOC2H5

DETAILS

MP Biomedicals - 05215914

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05212189

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W348600

Packaging
1 kg in glass bottle
1 sample in glass bottle
4, 10, 20 kg in comp drum

Sigma Aldrich - 140996

Packaging
100 mL in glass bottle

Sigma Aldrich - 167940

Packaging
50, 250 mL in glass bottle