1-ethoxyprop-1-ene

• ChemBase ID: 149704
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: CCO/C=C/C
• Canonical SMILES: CCO/C=C/C
• InChI: InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3
• InChIKey: XDHOEHJVXXTEDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxyprop-1-ene
• IUPAC Traditional name: ether, ethyl propenyl
• Synonyms: 1-Ethoxypropene; Ethyl-1-propenyl ether, mixture of cis and trans; Ethyl propenyl ether; 1-乙氧基丙烯; 乙基丙烯醚，顺反异构体混合物; 乙基丙烯醚

Database IDs

• CAS Number: 928-55-2
• EC Number: 213-176-0
• MDL Number: MFCD00015184
• Beilstein Number: 1735974
• PubChem SID: 162243866; 24862412
• PubChem CID: 5365091

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3726668
• LogD (pH = 7.4): 1.3726668
• Log P: 1.3726668
• Molar Refractivity: 27.1268 cm^3
• Polarizability: 10.393685 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 67-76 °C(lit.)
• Flash Point: 20 °C; 68 °F
• Density: 0.778 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.398(lit.)

Safety Information

• RTECS: KO0525000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-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 3271 3/PG 2

Product Information

• Purity: 98%
• Linear Formula: C2H5OCH=CHCH3

DETAILS

Sigma Aldrich - 364045

Packaging
10, 25 g in glass bottle