2-(2-Hydroxyethoxy)benzaldehyde - ≥96%(HPLC) , CAS No.22042-72-4

CAS: 22042-72-4 Cat. No.: H140267 Summenformel: C₉H₁₀O₃ Molekulargewicht: 166.18 EG-Nummer: 803-253-2

GRADE & PURITY ≥96%(HPLC)

Synonyms

2-hydroxyethoxybenzaldehyde | NSC 404475 | XAA04272 | D90964 | Phenoxyethyl formate | A815865 | MFCD00191449 | FT-0638176 | BP-10996 | 2-(2-Hydroxyethoxy)benzaldehyde | 2-(2-hydroxyethoxy)-benzaldehyde | AI3-18709 | WGHPWLUYIPUQOJ-UHFFFAOYSA-N | AS-60548

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

2-hydroxyethoxybenzaldehyde | NSC 404475 | XAA04272 | D90964 | Phenoxyethyl formate | A815865 | MFCD00191449 | FT-0638176 | BP-10996 | 2-(2-Hydroxyethoxy)benzaldehyde | 2-(2-hydroxyethoxy)-benzaldehyde | AI3-18709 | WGHPWLUYIPUQOJ-UHFFFAOYSA-N | AS-60548

Spezifikationen & Reinheit

≥96%(HPLC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%(HPLC)

Namen und Kennungen

• Pubchem Sid: 508807866
• Kanonisches Lächeln: C1=CC=C(C(=C1)C=O)OCCO
• IUPAC Name: 2-(2-hydroxyethoxy)benzaldehyde
• InChIKey: WGHPWLUYIPUQOJ-UHFFFAOYSA-N
• INCHI: 1S/C9H10O3/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4,7,10H,5-6H2
• Isomere SMILES: C1=CC=C(C(=C1)C=O)OCCO
• Molekulargewicht: 166.18
• Reaxy-Rn: 2964337
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2964337&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Ether - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive,Heat sensitive
• Siedepunkt (°C): 134 °C/1 mmHg
• Schmelzpunkt (°C): 41.0-47.0℃
• Molekulargewicht: 166.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 136.000
• 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