2,5-Bishydroxymethyl Tetrahydrofuran - ≥90%, mixture of isomers , CAS No.104-80-3

CAS: 104-80-3 Cat. No.: C301744 Molecular Weight: 132.16 EC Number: 203-239-0

GRADE & PURITY ≥90%, mixture of isomers

Synonyms

AKOS006277000 | Bendex | EN300-85887 | 2,5-bis-hydroxymethyltetrahydrofuran | J-507348 | [5-(Hydroxymethyl)tetrahydrofuran-2-yl]methanol | A1-24378 | SY019156 | tributylstannyl 2-hydroxybenzoate | FT-0653706 | Hexitol, 2,5-anhydro-3,4-dideoxy- | FHV49N148

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS006277000 | Bendex | EN300-85887 | 2, 5-bis-hydroxymethyltetrahydrofuran | J-507348 | [5-(Hydroxymethyl)tetrahydrofuran-2-yl]methanol | A1-24378 | SY019156 | tributylstannyl 2-hydroxybenzoate | FT-0653706 | Hexitol, 2, 5-anhydro-3, 4-dideoxy- | FHV49N148

Specifications & Purity

≥90%, mixture of isomers

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504756381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756381
• Canonical Smiles: C1CC(OC1CO)CO
• IUPAC Name: [5-(hydroxymethyl)oxolan-2-yl]methanol
• InChIKey: YCZZQSFWHFBKMU-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c7-3-5-1-2-6(4-8)9-5/h5-8H,1-4H2
• Isomeric SMILES: C1CC(OC1CO)CO
• Molecular Weight: 132.16
• Reaxy-Rn: 104257
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104257&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Flash Point(°C): 129.6-94.4°C
• Molecular Weight: 132.160 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Taimei Cai, Lihua Yao, Jieping Fan, Hailong Peng.  (2023)  Fe-Ni bimetallic nanoparticles encapsulated into nanofibrous carbon microspheres as a catalytic nanoreactor for highly selective hydrogenation of 5-hydroxymethylfurfural to 2,5-dihydroxymethylfuran or 2,5-dihydroxymethyltetrahydrofuran.  Journal of the Taiwan Institute of Chemical Engineers,      [PMID:] [10.1016/j.jtice.2023.104870]

2. Hongyu Qu, Xiangcheng Li, Xiao Han, Junjie Li, Xinqiang Feng, Chuang Liu, Zhendong Wang, Weimin Yang.  (2024)  Ni-Supported Germanosilicate Zeolite SCM-14 for Efficient Hydrogenolysis of 5-Hydroxymethylfurfural to 2,5-Dimethylfuran.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c03041]

3. Weizhen Xie, Chenting Yang, Quanwei Deng, Shigang Su, Lu Lin, Xing Tang.  (2025)  Relay activation H2 over Pd/MnOx-VC for efficient aqueous-phase hydrogenation of concentrated 5-hydroxymethylfurfural to 2,5-bis(hydroxymethyl)tetrahydrofuran under low temperatures.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2025.126285]