(3-Ethyl-5-isoxazolyl)methanol - ≥95% , CAS No.14716-90-6

CAS: 14716-90-6 Cat. No.: E167373 Formula: C₆H₉NO₂ Peso molecolare: 127.14

GRADE & PURITY ≥95%

Synonyms

EN300-1251980 | (3-Ethyl-isoxazol-5-yl)-methanol | (3-ethylisoxazol-5-yl)methanol | 3-Ethyl-5-(hydroxymethyl)isoxazole | (3-Ethyl-5-isoxazolyl)methanol, AldrichCPR | LS-03294 | (3-ethyl-5-isoxazolyl)methanol | SY081933 | AKOS000302944 | D78962 | DTXSID005

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

EN300-1251980 | (3-Ethyl-isoxazol-5-yl)-methanol | (3-ethylisoxazol-5-yl)methanol | 3-Ethyl-5-(hydroxymethyl)isoxazole | (3-Ethyl-5-isoxazolyl)methanol, AldrichCPR | LS-03294 | (3-ethyl-5-isoxazolyl)methanol | SY081933 | AKOS000302944 | D78962 | DTXSID005

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CCC1=NOC(=C1)CO

IUPAC Name

(3-ethyl-1,2-oxazol-5-yl)methanol

InChIKey

PUWYXPHAQNCKLQ-UHFFFAOYSA-N

INCHI

1S/C6H9NO2/c1-2-5-3-6(4-8)9-7-5/h3,8H,2,4H2,1H3

Isomeri SMILES

CCC1=NOC(=C1)CO

WGK Germania

3

Peso molecolare

127.14

Reaxy-Rn

1561920

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1561920&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Isoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Isoxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoxazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 127.140 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 127.063 Da
• Monoisotopic Mass: 127.063 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• Isotope Atom Count: 0
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 14716-90-6, the molecular formula is C6H9NO2, and the molecular weight is 127.14 g/mol. InChIKey PUWYXPHAQNCKLQ-UHFFFAOYSA-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.