3-methoxyprop-1-ene

• ChemBase ID: 87166
• Molecular Formular: C4H8O
• Molecular Mass: 72.10572
• Monoisotopic Mass: 72.05751488
• SMILES: O(CC=C)C
• Canonical SMILES: COCC=C
• InChI: InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3
• InChIKey: FASUFOTUSHAIHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxyprop-1-ene
• IUPAC Traditional name: methallyl alcohol
• Synonyms: Allyl methyl ether 95%; Methyl allyl ether; 3-Methoxy-1-propene; Allyl methyl ether; METHYLALLYL ETHER; 3-甲氧基-1-丙烯; 烯丙基甲基醚

Database IDs

• CAS Number: 627-40-7
• EC Number: 210-997-6
• MDL Number: MFCD00008649
• PubChem SID: 24885420; 162074282
• PubChem CID: 69392

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.85579926
• LogD (pH = 7.4): 0.85579926
• Log P: 0.85579926
• Molar Refractivity: 22.1752 cm^3
• Polarizability: 8.548852 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 42-43 °C/760 mmHg; 42-43°C
• Flash Point: <-18.4 °F; <-28 °C; -23°C(-94°F)
• Density: 0.768 g/mL at 25 °C; 0.77
• Refractive Index: 1.3803; n20/D 1.3803

Safety Information

• European Hazard Symbols: Flammable (F); Highly flammable (F+); Harmful (Xn)
• UN Number: 3271; UN3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-19; 12-22-36
• Safety Statements: 16; 26
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225; H225-H302-H319
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A; P210-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3271 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 94%; 97%
• Linear Formula: CH2=CHCH2OCH3

DETAILS

MP Biomedicals - 05207647

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 678201

Packaging
5, 25 g in glass bottle