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

CAS: 87-28-5 Cat. No.: E102775 分子式: HOC₆H₄COOCH₂CH₂OH 分子量: 182.17 Beilstein Registry Number: 2255690 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488180188

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180188

カノニカル・スマイル

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

異性体SMILES

C1=CC=C(C(=C1)C(=O)OCCO)O

WGKドイツ

3

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzoic acid esters
          • Level6 o-Hydroxybenzoic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water; Very soluble in Chloroform,Alcohol,Benzene,Ether
• 屈折率: 1.548
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 174°C
• 沸点（°C）: 166°C
• 融点（°C）: 26 °C
• 分子量: 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

よくある質問

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.