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620-02-0 molecular structure
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5-methylfuran-2-carbaldehyde

ChemBase ID: 104340
Molecular Formular: C6H6O2
Molecular Mass: 110.11064
Monoisotopic Mass: 110.03677943
SMILES and InChIs

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

Cite this record

CBID:104340 http://www.chembase.cn/molecule-104340.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methylfuran-2-carbaldehyde
IUPAC Traditional name
5-methylfurfural
Synonyms
5-Methyl-2-furaldehyde
5-METHYLFURAN-2-ALDEHYDE
5-Methylfurfural
5-METHYLFURFURAL
5-Methylfurfural
5-Methyl-2-furaldehyde
5-methylfuran-2-carbaldehyde
5-甲基呋喃醛
5-甲基-2-糠醛
5-甲基糠醛
CAS Number
620-02-0
EC Number
210-622-6
MDL Number
MFCD00003232
Beilstein Number
106895
PubChem SID
24885018
24848320
24901270
162092474
PubChem CID
12097
FEMA ID
2702
Council of Europe Number
119
Flavis Number
13.001

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9455561  LogD (pH = 7.4) 0.9455561 
Log P 0.9455561  Molar Refractivity 30.1826 cm3
Polarizability 10.88227 Å3 Polar Surface Area 30.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
very deep yellow to brown expand Show data source
Boiling Point
186-188°C expand Show data source
187 °C(lit.) expand Show data source
187°C expand Show data source
187-189 °C(lit.) expand Show data source
Flash Point
161.6 °F expand Show data source
72 °C expand Show data source
72.7°C expand Show data source
72°C(161°F) expand Show data source
Density
1.105 g/mL at 20 °C(lit.) expand Show data source
1.106 expand Show data source
1.107 g/ml expand Show data source
1.107 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5310 expand Show data source
n20/D 1.531 expand Show data source
n20/D 1.531(lit.) expand Show data source
Organoleptic
almond; caramel; spicy; sweet expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
LT7032500 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36 expand Show data source
26-37 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H227 expand Show data source
H315-H319-H335-H360D expand Show data source
GHS Precautionary statements
P201-P261-P305 + P351 + P338-P308 + P313 expand Show data source
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Regulation Compliance
EU Regulation 1334/2008 & 178/2002 expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥97.0% (GC) expand Show data source
≥98% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
purum expand Show data source
ReagentPlus® expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Impurities
<0.3% DMF(residual starting material) expand Show data source
Empirical Formula (Hill Notation)
C6H6O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich MP Biomedicals MP Biomedicals
Sigma Aldrich - 137316 external link
Packaging
5, 25, 100 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
MP Biomedicals - 02155550 external link
(5-Methyl-2-furaldehyde) 1 ml = approx. 1.1 g

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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