2-[(oxiran-2-ylmethoxy)methyl]furan

• ChemBase ID: 120509
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: O1C(C1)COCc1occc1
• Canonical SMILES: O(Cc1ccco1)CC1CO1
• InChI: InChI=1S/C8H10O3/c1-2-7(10-3-1)4-9-5-8-6-11-8/h1-3,8H,4-6H2
• InChIKey: RUGWIVARLJMKDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(oxiran-2-ylmethoxy)methyl]furan
• IUPAC Traditional name: 2-[(oxiran-2-ylmethoxy)methyl]furan
• Synonyms: 2-((oxiran-2-ylmethoxy)methyl)furan; 2,3-Epoxypropyl 2-furylmethyl ether; 2-[(Oxiranylmethoxy)methyl]furan; Furfuryl glycidyl ether; 2,3-环氧丙基2-呋喃基甲醚; 呋喃甲基缩水甘油醚; 缩水甘油糠醚

Database IDs

• CAS Number: 5380-87-0
• EC Number: 226-372-6
• MDL Number: MFCD00013348
• PubChem SID: 24859513; 162214862
• PubChem CID: 94306

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7505358
• LogD (pH = 7.4): 0.7505358
• Log P: 0.7505358
• Molar Refractivity: 38.7607 cm^3
• Polarizability: 15.251115 Å^3
• Polar Surface Area: 34.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103-104 °C/11 mmHg(lit.)
• Flash Point: 102 °C; 215.6 °F
• Density: 1.122 g/mL at 25 °C
• Refractive Index: n20/D 1.481(lit.)

Safety Information

• RTECS: LU1423000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C8H10O3

DETAILS

Sigma Aldrich - 325481

Packaging
25 g in poly bottle