(2S)-2-methoxypropan-1-ol - ≥97% , CAS No.116422-39-0

CAS: 116422-39-0 Cat. No.: M637435 Fórmula: C₄H₁₀O₂ Peso molecular: 90.12 Número EC: 674-958-9

GRADE & PURITY ≥97%

Synonyms

UNII-6725GR28FG | YTTFFPATQICAQN-BYPYZUCNSA-N | Q27264062 | 6725GR28FG | A803617 | 1-Propanol, 2-methoxy-, (S)- | (2S)-2-methoxypropan-1-ol | 2-(5-INDOLE)BENZOICACID | EN300-7145149 | 2-(S)-methoxy-propanol | (+)-(S)-2-methoxy-propanol | MFCD01632593 | 2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

UNII-6725GR28FG | YTTFFPATQICAQN-BYPYZUCNSA-N | Q27264062 | 6725GR28FG | A803617 | 1-Propanol, 2-methoxy-, (S)- | (2S)-2-methoxypropan-1-ol | 2-(5-INDOLE)BENZOICACID | EN300-7145149 | 2-(S)-methoxy-propanol | (+)-(S)-2-methoxy-propanol | MFCD01632593 | 2-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

CC(CO)OC

IUPAC Name

(2S)-2-methoxypropan-1-ol

InChIKey

YTTFFPATQICAQN-BYPYZUCNSA-N

INCHI

1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1

Isómeros SMILES

C[C@@H](CO)OC

CAS alternativo

116422-39-0,1589-47-5

Peso molecular

90.12

Reaxy-Rn

1731397

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

Propiedades químicas y físicas

• Peso molecular: 90.120 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 90.0681 Da
• Monoisotopic Mass: 90.0681 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 116422-39-0, the molecular formula is C4H10O2, and the molecular weight is 90.12 g/mol. InChIKey YTTFFPATQICAQN-BYPYZUCNSA-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.