Formaldehyde-¹³C solution - ≥99 atom% 13C, 20 wt. % in H2O , CAS No.3228-27-1

CAS: 3228-27-1 Cat. No.: F357312 Molecular Weight: 31.02 EC Number: 687-203-3

GRADE & PURITY ≥99 atom% 13C, 20 wt. % in H2O

Synonyms

13C Labeled formaldehyde solution | 13C Labeled formalin solution

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

13C Labeled formaldehyde solution | 13C Labeled formalin solution

Specifications & Purity

≥99 atom% 13C, 20 wt. % in H2O

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥99 atom% 13C

Names and Identifiers

• Canonical Smiles: [H][13C]([H])=O
• IUPAC Name: (113C)methanone
• InChIKey: WSFSSNUMVMOOMR-OUBTZVSYSA-N
• INCHI: 1S/CH2O/c1-2/h1H2/i1+1
• Isomeric SMILES: [13CH2]=O
• Alternate CAS: 50-00-0(unlabelled)
• UN Number: 3334
• Packing Group: III
• Molecular Weight: 31.02
• Reaxy-Rn: 1900639
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900639&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group.
• 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

• Molecular Weight: 31.019 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 31.0139 Da
• Monoisotopic Mass: 31.0139 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 2
• Formal Charge: 0
• Complexity: 2.000
• Isotope Atom Count: 1
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• 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. Zhenyu Zhai, Yunjie Li, Zhilei Li, Jingting Wang, Yuan Li, Yi-Heng P. Job Zhang.  (2025)  Enzymatic Cleanup of Formaldehyde in Aqueous Solutions.  ChemSusChem,      [PMID:40110720] [10.1002/cssc.202402711]

2. Aocong Guan, Yin Gao, Minhui Wang, Jinglei Nie, Jianming Liu, An-Ping Zeng.  (2025)  Synergistic chemo-enzymatic formic acid disproportionation and biomolecular condensates for efficient amino acid production.  Journal of CO2 Utilization,      [PMID:] [10.1016/j.jcou.2025.103269]