Ethanol-1-¹³C - ≥99 atom% 13C , CAS No.14742-23-5

CAS: 14742-23-5 Cat. No.: E473835 Formula: CH₃¹³CH₂OH Molecular Weight: 47.06 EC Number: 693-252-1

GRADE & PURITY ≥96%(SDS-PAGE)

Synonyms

Ethanol-1-13C (9CI) | Ethanol-1-13c(9ci) | Ethanol-1-13C, 99 atom % 13C | Ethanol-1-13C, 95% in H2O, 99 atom % 13C | ETHYL-1-13C ALCOHOL | Ethanol-1-13C | J-008355 | Ethyl alcohol-1-13C | DTXSID60480248 | Ethanol-1-(13-C) | (113C)ethanol

Storage

Room temperature

Specifications

Synonyms

Ethanol-1-13C (9CI) | Ethanol-1-13c(9ci) | Ethanol-1-13C, 99 atom % 13C | Ethanol-1-13C, 95% in H2O, 99 atom % 13C | ETHYL-1-13C ALCOHOL | Ethanol-1-13C | J-008355 | Ethyl alcohol-1-13C | DTXSID60480248 | Ethanol-1-(13-C) | (113C)ethanol

Specifications & Purity

≥99 atom% 13C

Storage

Room temperature

Purity

≥96%(SDS-PAGE)

Names and Identifiers

• Canonical Smiles: CCO
• IUPAC Name: (113C)ethanol
• InChIKey: LFQSCWFLJHTTHZ-VQEHIDDOSA-N
• INCHI: 1S/C2H6O/c1-2-3/h3H,2H2,1H3/i2+1
• Isomeric SMILES: C[13CH2]O
• UN Number: 1170
• Molecular Weight: 47.06
• Reaxy-Rn: 1839465
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1839465&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

• x_refractive_index: n20/D 1.362 (lit.)
• x_boil_point_char: 78℃ (lit.)
• x_melt_point_char: -114℃ (lit.)
• Molecular Weight: 47.061 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 47.0452 Da
• Monoisotopic Mass: 47.0452 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 2.800
• 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

Frequently Asked Questions

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14742-23-5, the molecular formula is C2H6O, and the molecular weight is 47.06 g/mol. InChIKey LFQSCWFLJHTTHZ-VQEHIDDOSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.