Ethylene glycol monosali - ≥98% , CAS No.87-28-5

CAS: 87-28-5 Cat. No.: E102775 Formula: HOC₆H₄COOCH₂CH₂OH Peso molecolare: 182.17 Beilstein Registry Number: 2255690 Numero EC: 201-737-2

GRADE & PURITY ≥98%

Synonyms

2-Hydroxybenzoic acid, 2-hydroxyethyl ester | Ethylene glycol monosalicylate | SR-01000944719-1 | A842078 | Ethylene glycol monosalicylate, >=98.0% (GC) | Kytta-gel | SCHEMBL15402 | 1,2-Ethylene glycol monosalicylate | CAS-87-28-5 | W-104034 | E78954 | Sa

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-Hydroxybenzoic acid, 2-hydroxyethyl ester | Ethylene glycol monosalicylate | SR-01000944719-1 | A842078 | Ethylene glycol monosalicylate, >=98.0% (GC) | Kytta-gel | SCHEMBL15402 | 1,2-Ethylene glycol monosalicylate | CAS-87-28-5 | W-104034 | E78954 | Sa

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488180188
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180188
• Sorrisi canonici: C1=CC=C(C(=C1)C(=O)OCCO)O
• IUPAC Name: 2-hydroxyethyl 2-hydroxybenzoate
• InChIKey: LVYLCBNXHHHPSB-UHFFFAOYSA-N
• INCHI: 1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2
• Isomeri SMILES: C1=CC=C(C(=C1)C(=O)OCCO)O
• WGK Germania: 3
• Peso molecolare: 182.17
• Beilstein: 2255690
• Reaxy-Rn: 2255685
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2255685&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzoic acid esters
          • Level6 o-Hydroxybenzoic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acid esters
• Direct Parent: o-Hydroxybenzoic acid esters
• Alternative Parents: Salicylic acid and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
• External Descriptors: phenols - salicylates - primary alcohol - benzoate ester

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water; Very soluble in Chloroform,Alcohol,Benzene,Ether
• Indice di rifrazione: 1.548
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 174°C
• Punto di ebollizione (°C): 166°C
• Punto di fusione (°C): 26 °C
• Peso molecolare: 182.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 169.000
• 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 ≥98% 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 87-28-5, the molecular formula is C9H10O4, and the molecular weight is 182.17 g/mol. InChIKey LVYLCBNXHHHPSB-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.