5-methylfuran-2-carbaldehyde

• ChemBase ID: 104340
• Molecular Formular: C6H6O2
• Molecular Mass: 110.11064
• Monoisotopic Mass: 110.03677943
• SMILES: Cc1ccc(o1)C=O
• Canonical SMILES: Cc1ccc(o1)C=O
• InChI: InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
• InChIKey: OUDFNZMQXZILJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylfuran-2-carbaldehyde
• IUPAC Traditional name: 5-methylfurfural
• Synonyms: 5-Methyl-2-furaldehyde; 5-METHYLFURFURAL; 5-METHYLFURAN-2-ALDEHYDE; 5-methylfuran-2-carbaldehyde; 5-Methylfurfural; 5-Methyl-2-furaldehyde; 5-Methylfurfural; 5-甲基-2-糠醛; 5-甲基呋喃醛; 5-甲基糠醛

Database IDs

• CAS Number: 620-02-0
• EC Number: 210-622-6
• MDL Number: MFCD00003232
• Beilstein Number: 106895
• PubChem SID: 24885018; 24901270; 24848320; 162092474
• PubChem CID: 12097
• FEMA ID: 2702
• Council of Europe Number: 119
• Flavis Number: 13.001

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9455561
• LogD (pH = 7.4): 0.9455561
• Log P: 0.9455561
• Molar Refractivity: 30.1826 cm^3
• Polarizability: 10.88227 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: very deep yellow to brown
• Boiling Point: 186-188°C; 187 °C(lit.); 187°C; 187-189 °C(lit.)
• Flash Point: 161.6 °F; 72 °C; 72.7°C; 72°C(161°F)
• Density: 1.105 g/mL at 20 °C(lit.); 1.106; 1.107 g/ml; 1.107 g/mL at 25 °C(lit.)
• Refractive Index: 1.5310; n20/D 1.531; n20/D 1.531(lit.)
• Organoleptic: almond; caramel; spicy; sweet

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive
• RTECS: LT7032500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26; 26-36; 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227; H315-H319-H335-H360D
• GHS Precautionary statements: P201-P261-P305 + P351 + P338-P308 + P313; P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥97.0% (GC); ≥98%; 98%; 99%
• Grade: Halal; Kosher; NI; purum; ReagentPlus®
• Impurities: <0.3% DMF(residual starting material)
• Empirical Formula (Hill Notation): C6H6O2

DETAILS

MP Biomedicals - 02155550

(5-Methyl-2-furaldehyde) 1 ml = approx. 1.1 g

Sigma Aldrich - 137316

Packaging
5, 25, 100 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC