ethyl propanoate

• ChemBase ID: 110478
• Molecular Formular: C5H10O2
• Molecular Mass: 102.1317
• Monoisotopic Mass: 102.06807956
• SMILES: CCOC(=O)CC
• Canonical SMILES: CCOC(=O)CC
• InChI: InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
• InChIKey: FKRCODPIKNYEAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl propanoate
• IUPAC Traditional name: ethyl propionate
• Synonyms: Ethyl propionate; Propionic acid ethyl ester; ETHYL PROPIONATE; 丙酸乙酯

Database IDs

• CAS Number: 105-37-3
• EC Number: 203-291-4
• MDL Number: MFCD00009308
• Beilstein Number: 506287
• Merck Index: 143847
• PubChem SID: 24901102; 24901101; 24890343; 24847086; 24887813; 162095917
• PubChem CID: 7749
• FEMA ID: 2456
• Council of Europe Number: 402; 402c
• Flavis Number: 9.121

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.97989213
• LogD (pH = 7.4): 0.97989213
• Log P: 0.97989213
• Molar Refractivity: 26.7883 cm^3
• Polarizability: 10.71875 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -73 °C(lit.); -73°C; -73°C; -74°C
• Boiling Point: 99 °C(lit.); 99°C; 99°C
• Flash Point: 12 °C; 12°C(54°F); 127.4 °F; 53 °C; 53.6 °F
• Auto Ignition Point: 887 °F
• Density: 0.888 g/mL at 25 °C(lit.); 0.891; 0.891 g/ml
• Refractive Index: 1.3850; n20/D 1.384; n20/D 1.384(lit.)
• Vapor Pressure: 40 mmHg ( 27.2 °C)
• Vapor Density: 3.52 (vs air)
• Organoleptic: ethereal; fruity; pineapple; sweet; wine-like; fruity; sweet; wine-like; ethereal

Safety Information

• RTECS: UF3675000
• European Hazard Symbols: Flammable (F)
• UN Number: 1195; UN1195
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11; R:11
• Safety Statements: 16-23-24-29-33; S:16-23-24-29-33
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• Explode Limits: 11 %
• GHS Hazard statements: H225
• GHS Precautionary statements: P210; P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1195 3/PG 2
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥97%; ≥99.0% (GC); ≥99.7% (GC); 99%
• Grade: analytical standard; FG; Halal; Kosher; natural; NI; puriss.
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3CH2COOC2H5

DETAILS

MP Biomedicals - 05215182

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 112305

Packaging
1 L in glass bottle
25, 500 mL in glass bottle

Sigma Aldrich - W245615

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in steel drum

Sigma Aldrich - W245607

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