2'-Hydroxyacetophenone - ≥99% , CAS No.118-93-4

CAS: 118-93-4 Cat. No.: H106327 분자식: C₈H₈O₂ 분자량: 136.15 Beilstein Registry Number: 386123 EC 번호: 204-288-0

GRADE & PURITY ≥99%

Synonyms

2-Acetylphenol | ACETOPHENONE,2-HYDROXY | CAS-118-93-4 | MFCD00002219 | 2,4-Cyclohexadien-1-one, 6-(1-hydroxyethylidene)- (9CI) | FT-0652315 | InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H | Ethanone, 1-(2-hydroxyphenyl)- | NSC9263 | NSC-9263 | PARAC

Storage

Protected from light,Room temperature

Shipped In

Normal

개요

Application

2тАЩ-Hydroxyacetophenone is a phenolic compound used in the synthesis of potential anti-myobacterial and anticancer agents.

Specifications

동의어

2-Acetylphenol | ACETOPHENONE,2-HYDROXY | CAS-118-93-4 | MFCD00002219 | 2,4-Cyclohexadien-1-one, 6-(1-hydroxyethylidene)- (9CI) | FT-0652315 | InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H | Ethanone, 1-(2-hydroxyphenyl)- | NSC9263 | NSC-9263 | PARAC

사양 및 순도

≥99%

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

488180771

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180771

정식 스마일

CC(=O)C1=CC=CC=C1O

IUPAC Name

1-(2-hydroxyphenyl)ethanone

InChIKey

JECYUBVRTQDVAT-UHFFFAOYSA-N

INCHI

1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3

이성체 SMILES

CC(=O)C1=CC=CC=C1O

WGK 독일

3

RTECS

AM8575000

분자량

136.15

Beilstein

386123

Reaxy-Rn

386123

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386123&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

관련 대상(인간)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Chloroform, Methanol (Slightly)
• 감도: Light sensitive.
• 굴절률: 1.558
• 발화점(°F): 222.8 °F
• 발화점(°C): 106 °C
• 끓는점(°C): 213°C
• 녹는점(°C): 3-6°C
• 분자량: 136.150 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 118-93-4, the molecular formula is C8H8O2, and the molecular weight is 136.15 g/mol. InChIKey JECYUBVRTQDVAT-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.