5-methyl-2,3-dihydrofuran

• ChemBase ID: 110583
• Molecular Formular: C5H8O
• Molecular Mass: 84.11642
• Monoisotopic Mass: 84.05751488
• SMILES: CC1=CCCO1
• Canonical SMILES: CC1=CCCO1
• InChI: InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3
• InChIKey: BGCWDXXJMUHZHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2,3-dihydrofuran
• IUPAC Traditional name: 5-methyl-2,3-dihydrofuran
• Synonyms: 4,5-DIHYDRO-2-METHYLFURAN; 2,3-Dihydro-5-methylfuran; 2,3-二氢-5-甲基呋喃

Database IDs

• CAS Number: 1487-15-6
• EC Number: 216-067-6
• MDL Number: MFCD00003206
• Beilstein Number: 103487
• PubChem SID: 24893338; 162089333
• PubChem CID: 15145

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6146653
• LogD (pH = 7.4): 0.6146653
• Log P: 0.6146653
• Molar Refractivity: 26.4657 cm^3
• Polarizability: 9.660139 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82 °C(lit.)
• Flash Point: 10.4 °F; -12 °C
• Density: 0.922 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.432; n20/D 1.432(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-29-33
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Empirical Formula (Hill Notation): C5H8O

DETAILS

MP Biomedicals - 05215610

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D105805

Packaging
5, 25 g in ampule