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

CAS: 87-28-5 Cat. No.: E102775 분자식: HOC₆H₄COOCH₂CH₂OH 분자량: 182.17 Beilstein Registry Number: 2255690 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488180188

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

분자량

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

pol Human immunodeficiency virus type 1 integrase (9041 Activities)

Discover Target: pol

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water; Very soluble in Chloroform,Alcohol,Benzene,Ether
• 굴절률: 1.548
• 발화점(°F): 235.4 °F
• 발화점(°C): 174°C
• 끓는점(°C): 166°C
• 녹는점(°C): 26 °C
• 분자량: 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

자주 묻는 질문

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.