4-(Hydroxymethyl)benzaldehyde - ≥98% , CAS No.52010-97-6

CAS: 52010-97-6 Cat. No.: H193722 Summenformel: C₈H₈O₂ Molekulargewicht: 136.15 EG-Nummer: 815-097-2

GRADE & PURITY ≥98%

Synonyms

4-hydroxymethylbenzaidehyde | AKOS016002000 | DTXSID10966345 | a-Hydroxy-p-tolualdehyde | EN300-262820 | SCHEMBL1124751 | STL555767 | SY023702 | 4-(hydroxymethyl)benzaldehyde | 4-(hydroxymethyl)-benzaldehyde | Z1255384176 | BCP07175 | MFCD11870191 | AM803

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-hydroxymethylbenzaidehyde | AKOS016002000 | DTXSID10966345 | a-Hydroxy-p-tolualdehyde | EN300-262820 | SCHEMBL1124751 | STL555767 | SY023702 | 4-(hydroxymethyl)benzaldehyde | 4-(hydroxymethyl)-benzaldehyde | Z1255384176 | BCP07175 | MFCD11870191 | AM803

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504759249
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759249
• Kanonisches Lächeln: C1=CC(=CC=C1CO)C=O
• IUPAC Name: 4-(hydroxymethyl)benzaldehyde
• InChIKey: ZFHUHPNDGVGXMS-UHFFFAOYSA-N
• INCHI: 1S/C8H8O2/c9-5-7-1-2-8(6-10)4-3-7/h1-5,10H,6H2
• Isomere SMILES: C1=CC(=CC=C1CO)C=O
• Molekulargewicht: 136.15
• Reaxy-Rn: 878348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Benzoyl derivatives Benzaldehydes Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Aldehyde - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

• Molekulargewicht: 136.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• 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: 104.000
• 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

Referenzen

1. Zhaocheng Li, Jiyuan Gao, Zexing Xiang, Honglei Zhang, Yibei Wang, Xuefei Zhang.  (2020)  A pH-responsive polymer linked with immunomodulatory drugs: synthesis, characteristics and in vitro biocompatibility.  JOURNAL OF APPLIED TOXICOLOGY,  41  (5): (724-735).  [PMID:32776438] [10.1002/jat.4042]

2. Huixiang Li, Xinyu Wu, Changhui Liang, Wei Zhang, Xiaoqiang Zhang, Z. Conrad Zhang.  (2026)  Volcano relationship between oxygen affinity and intrinsic activity in aldol condensation over metal oxides.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2026.117127]

Häufig gestellte Fragen

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 52010-97-6, the molecular formula is C8H8O2, and the molecular weight is 136.15 g/mol. InChIKey ZFHUHPNDGVGXMS-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.