5-Methylfurfural - CAS 620-02-0
Catalog: |
BB031371 |
Product Name: |
5-Methylfurfural |
CAS: |
620-02-0 |
Synonyms: |
5-methylfuran-2-carbaldehyde |
IUPAC Name: | 5-methylfuran-2-carbaldehyde |
Description: | 5-Methylfurfural (CAS# 620-02-0 ) is a useful research chemical. |
Molecular Weight: | 110.11 |
Molecular Formula: | C6H6O2 |
Canonical SMILES: | CC1=CC=C(O1)C=O |
InChI: | InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3 |
InChI Key: | OUDFNZMQXZILJD-UHFFFAOYSA-N |
Boiling Point: | 187.00 °C (EPI 4.0) |
Flash Point: | 72°C |
Purity: | 99.0 % |
Density: | 1.1 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Yellow to amber liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00003232 |
LogP: | 1.40050 |
Refractive Index: | 1.526 : 1.535 at 20 deg C |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
GHS Hazard Statement: | H315 (97.96%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113349415-A | Preparation of low-temperature fraction for improving smoking quality and application of low-temperature fraction in heating cigarettes | 20210714 |
CN-113349416-A | Preparation of tobacco flavor capable of adjusting smoke and application of tobacco flavor in heating cigarettes | 20210714 |
CN-113349413-A | Preparation of aroma-enhancing harm-reducing low-temperature fraction and application thereof in cigarette heating | 20210713 |
CN-113349414-A | Preparation of low-temperature fraction with aroma enhancement function and application of low-temperature fraction in cigarette heating | 20210713 |
CN-113355163-A | Preparation of high-stability low-temperature spice and application of high-stability low-temperature spice in cigarette heating | 20210713 |
PMID | Publication Date | Title | Journal |
22841043 | 20120815 | Micellar electrokinetic chromatography method for the simultaneous determination of furanic compounds in honey and vegetable oils | Talanta |
22492614 | 20120701 | Selective reduction of biomass by hydriodic acid and its in situ regeneration from iodine by metal/hydrogen | ChemSusChem |
22429085 | 20120401 | Effect of maturity stage and storage on flavor compounds and sensory description of berrycactus (Myrtillocactus geometrizans) | Journal of food science |
22012948 | 20111118 | High-quality diesel from hexose- and pentose-derived biomass platform molecules | ChemSusChem |
21838257 | 20110928 | Thermal decomposition of 5-(hydroxymethyl)-2-furaldehyde (HMF) and its further transformations in the presence of glycine | Journal of agricultural and food chemistry |
Complexity: | 90.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 110.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.036779430 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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