4-methoxy-3,6-dihydro-2H-pyran

• ChemBase ID: 65158
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: C1COCC=C1OC
• Canonical SMILES: COC1=CCOCC1
• InChI: InChI=1S/C6H10O2/c1-7-6-2-4-8-5-3-6/h2H,3-5H2,1H3
• InChIKey: FSMHNRHLQAABPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3,6-dihydro-2H-pyran
• IUPAC Traditional name: 4-methoxy-3,6-dihydro-2H-pyran
• Synonyms: 4-Methoxy-3,6-dihydro-2H-pyran; 4-Methoxy-5,6-dihydropyran; 5,6-Dihydro-4-methoxy-2H-pyran; 4-甲氧基-5,6-二氢吡喃; 5,6-二氢-4-甲氧基-2H-吡喃

Database IDs

• CAS Number: 17327-22-9
• EC Number: 241-348-5
• MDL Number: MFCD00006570
• Beilstein Number: 1341205
• PubChem SID: 24851368; 162030897
• PubChem CID: 87051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.017819606
• LogD (pH = 7.4): -0.017819606
• Log P: -0.017819606
• Molar Refractivity: 32.871 cm^3
• Polarizability: 12.201129 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 59 °C/20 mmHg(lit.)
• Flash Point: 114.8 °F; 46 °C
• Density: 1.022 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.462(lit.)

Safety Information

• Storage Warning: IRRITANT
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 23-24/25
• TSCA Listed: false
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• 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 3

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C6H10O2

DETAILS

Sigma Aldrich - 189170

Packaging
1, 5 g in ampule
Application
Reagent for the protection of chiral alcohols.1,2