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

• ChemBase ID: 108502
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: COC1CCC=CO1
• Canonical SMILES: COC1CCC=CO1
• InChI: InChI=1S/C6H10O2/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3
• InChIKey: XCYWUZHUTJDTGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3,4-dihydro-2H-pyran
• IUPAC Traditional name: 2-methoxy-3,4-dihydro-2H-pyran
• Synonyms: 3,4-Dihydro-2-methoxy-2H-pyran; 2-Methoxy-3,4-dihydro-2H-pyran; 2-METHOXY-2,3-DIHYDRO-4H-PYRAN; 2-甲氧基-3,4-二氢-2H-吡喃; 3,4-二氢-2-甲氧基-2H-吡喃

Database IDs

• CAS Number: 4454-05-1
• EC Number: 224-698-3
• MDL Number: MFCD00006560
• Beilstein Number: 107274
• PubChem SID: 24850892; 162094441
• PubChem CID: 91538

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0370957
• LogD (pH = 7.4): 1.0370957
• Log P: 1.0370957
• Molar Refractivity: 31.1391 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: 126°C
• Flash Point: 16°C(61°F); 26 °C; 78.8 °F
• Density: 1.000; 1.006 g/mL at 25 °C(lit.)
• Refractive Index: 1.4420; n20/D 1.442(lit.)

Safety Information

• RTECS: UP7900000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1993; UN3271
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 10-20-36; 11-22-36/37/38
• Safety Statements: 26-36; 26-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H225-H301-H315-H319-H335; H226-H302-H319-H332
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; 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 1993 3/PG 2

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C6H10O2

DETAILS

MP Biomedicals - 05207607

MP Biomedicals Rare Chemical collection