Basic information
- CAS
1883-75-6- Standard SMILES
OCc1ccc(CO)o1- InChIKey
DSLRVRBSNLHVBH-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734412
Overview
2,5-furandimethanol is a furan carrying two hydroxymethyl substituents at the 2- and 5-positions. It is a diol and a member of furans.
Names & identifiers
- Preferred name
- 2,5-Furandimethanol
- IUPAC
- [5-(hydroxymethyl)furan-2-yl]methanol
- English name
- 2,5-Furandimethanol
- Molecular formula
- C6H8O3
- Molecular weight
- 128.13
Names & synonyms
Show more names
Database identifiers
- CAS
1883-75-6- PubChem CID
- 74663
- DTXSID
DTXSID2062036- ChEMBL
CHEMBL4303433- ChEBI
CHEBI:59984- UNII
- 4XE4JYN4G7
- EC Number
- 217-544-1
- Nikkaji
- J199.705J
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 74.4
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 74 · 74-77 °C
- Boiling point
- 275 °C · 275 °C
- Density
- 1.283 · 1.283
- Flash point
- 120 °C · 120 °C
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Acetonitrile (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 13.74 · 13.74±0.10(Predicted)
- color
- Off-White to Light Yellow
- InChI
- InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2
- InChIKey
- DSLRVRBSNLHVBH-UHFFFAOYSA-N
- SMILES
- O1C(CO)=CC=C1CO
- LogP
- -1.326 · -1.326 (est)
- FDA UNII
- 4 XE4JYN4G7 · 4XE4JYN4G7
- EPA Substance Registry System
- 2 · 2,5-Furandimethanol (1883-75-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302+H312+H332-H315
- Precautionary statements
- 261 · P261-P271-P280
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
- HS Code
- 29321900 · 29321900
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Warning
H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2,5-Furandimethanol: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- hs_code
- 29321900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H319-H302+H312+H332-H315
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Uses & manufacturing
Applications
Description2,5-Furandimethanol is white or internally white solid in appearance, soluble in water, ethanol, acetone, pyridine, tetrahydrofuran, but insoluble in ethane, toluene, and dichloroethane.
Description5-(Hydroxymethyl)furfuryl alcohol is a heterocyclic organic compound that is naturally produced by certain wood-inhabiting fungi. It can be derived by the reduction of the formyl group of 5-hydroxymethylfurfural. 5-(Hydroxymethyl)furfuryl alcohol can be used as a building block in the enzymatic synthesis of biobased polyesters.
Uses5-(Hydroxymethyl)furfuryl Alcohol is a secondary metabolite of Xylaramide, a new antifungal compound.
Preparation methods
Preparation1. Preparation of adsorbent:Add 100Kg of ADS-17 medium polar adsorption resin, 5Kg of diethyl maleate, 0.5Kg of 2-methyl-4- (2,2,3-trimethyl-3-cyclopentene into the 2000L reactor -1-yl)-2-buten-1-ol, 700Kg water, 2Kg polyvinyl alcohol, 1Kg benzoyl peroxide, reacted at 80°C for 6h and then heated to 85°C for 2h, then heated to 95° C react for 6h, filter and dry to obtain adsorbent;2 ·Adsorption purification of 2,5-furandimethanol:Mix 100Kg of technical grade 2,5-furandimethanol and 1000Kg of deionized water at 90°C for 3 hours, and then pass through a chromatography column equipped with adsorbent for adsorption at a temperature of 90°C and a flow rate of 3BV/h. After dehydration, a purified product of 2,5-furandimethanol can be obtained.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Additional notes
DefinitionChEBI: A furan carrying two hydroxymethyl substituents at the 2- and 5-positions.
Related reactions
Compound notes
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