methyl propanoate

• ChemBase ID: 104558
• Molecular Formular: C4H8O2
• Molecular Mass: 88.10512
• Monoisotopic Mass: 88.0524295
• SMILES: CCC(=O)OC
• Canonical SMILES: CCC(=O)OC
• InChI: InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
• InChIKey: RJUFJBKOKNCXHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl propanoate
• IUPAC Traditional name: methyl propionate
• Synonyms: Methyl propionate; Propionic acid methyl ester; PROPIONIC ACID METHYL ESTER; METHYL PROPIONATE; 丙酸甲酯

Database IDs

• CAS Number: 554-12-1
• EC Number: 209-060-4
• MDL Number: MFCD00009306
• Beilstein Number: 1737628
• Merck Index: 146112
• PubChem SID: 162091885; 24846900; 24887918; 24901300
• PubChem CID: 11124
• FEMA ID: 2742
• Council of Europe Number: 415
• Flavis Number: 9.134

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230842
• LogD (pH = 7.4): 0.6230842
• Log P: 0.6230842
• Molar Refractivity: 22.0397 cm^3
• Polarizability: 8.888966 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -88 °C(lit.); -88°C
• Boiling Point: 78-80°C; 79 °C(lit.)
• Flash Point: -2 °C; -2°C(28°F); 28.4 °F
• Auto Ignition Point: 876 °F
• Density: 0.915; 0.915 g/mL at 25 °C(lit.); 0.92 g/ml
• Refractive Index: 1.3770; n20/D 1.376; n20/D 1.376(lit.); n20/D 1.377
• Vapor Pressure: 40 mmHg ( 11 °C); 85.3 mmHg ( 25 °C)
• Vapor Density: 3 (vs air)
• Organoleptic: apple; banana; strawberry

Safety Information

• RTECS: UF5970000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1248; UN1248
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20
• Safety Statements: 16-24-29-33
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• Explode Limits: 13 %
• GHS Hazard statements: H225-H332
• GHS Precautionary statements: P210; P210-P241-P261-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 1248 3/PG 2

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥98%; ≥99.0% (GC); ≥99.8% (GC); 99%
• Grade: analytical standard; analytical standard, for environmental analysis; Kosher; NI; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3CH2COOCH3

DETAILS

MP Biomedicals - 02156401

(Methyl propionate)
1 ml = approx. 0.92 g

MP Biomedicals - 05216190

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 109258

Packaging
100, 500 mL in glass bottle

Sigma Aldrich - W274208

Packaging
1 kg in glass bottle
5, 10 kg in steel drum
1 sample in glass bottle
20 kg in comp drum