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1883-75-6 molecular structure
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[5-(hydroxymethyl)furan-2-yl]methanol

ChemBase ID: 70984
Molecular Formular: C6H8O3
Molecular Mass: 128.12592
Monoisotopic Mass: 128.04734412
SMILES and InChIs

SMILES:
o1c(ccc1CO)CO
Canonical SMILES:
OCc1ccc(o1)CO
InChI:
InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2
InChIKey:
DSLRVRBSNLHVBH-UHFFFAOYSA-N

Cite this record

CBID:70984 http://www.chembase.cn/molecule-70984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(hydroxymethyl)furan-2-yl]methanol
IUPAC Traditional name
2,5-bis(hydroxymethyl)furan
Synonyms
(Fur-2,5-diyl)dimethanol
2,5-Bis(hydroxymethyl)furan 98+%
Furan-2,5-diyldimethanol
2,5-furandimethanol
2,5-bis(hydroxymethyl)fural
2,5-di(hydroxymethyl)fural
5-(hydroxymethyl)-furfuryl alcohol
2,5-Bis(hydroxymethyl)furan
2,5-Di(hydroxymethyl)furan
5-(Hydroxymethyl)furfuryl Alcohol
FaRez 6305
NSC 40737
NSC 524614
5-(Hydroxymethyl)furfuryl Alcohol
CAS Number
1883-75-6
MDL Number
MFCD00003253
PubChem SID
162036692
PubChem CID
74663
CHEBI ID
59984
Chemspider ID
67238
Wikipedia Title
2,5-Bis(hydroxymethyl)furan

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.417847  H Acceptors
H Donor LogD (pH = 5.5) -0.58120596 
LogD (pH = 7.4) -0.5812064  Log P -0.58120596 
Molar Refractivity 31.9582 cm3 Polarizability 12.16898 Å3
Polar Surface Area 53.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Off-white to pale yellow solid expand Show data source
Off-White to Pale Yellow Solid expand Show data source
Melting Point
74 - 77°C expand Show data source
75-76°C expand Show data source
75-76°C expand Show data source
Boiling Point
275°C expand Show data source
Flash Point
120 °C expand Show data source
Density
1.283 g/cm3 expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC
Toronto Research Chemicals - H947050 external link
5-(Hydroxymethyl)furfuryl Alcohol is a secondary metabolite of Xylaramide, a new antifungal compound.

REFERENCES

REFERENCES

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  • • Schneider, G., et al.: Biosciences, 51, 802 (1996)
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PATENTS

PATENTS

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INTERNET

INTERNET

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