Phenylglyoxal monohydrate - ≥97%(GC) , CAS No.1074-12-0

CAS: 1074-12-0 Cat. No.: P165810 Peso molecular: 152.15 Número EC: 214-036-1 PubChem CID: 14090

GRADE & PURITY ≥97%(GC)

Synonyms

NSC156299 | NSC-156299 | NCGC00091619-02 | 2-oxo-2-phenylacetaldehyde | 2-oxo-2-phenyl-acetaldehyde | N45G3015PA | Q5934181 | alpha-oxobenzeneacetaldehyde | FT-0633297 | AKOS009031532 | NCGC00091619-01 | O10845 | Z1954804411 | Benzeneacetaldehyde, a-oxo-

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Specific reagent for arginine.

Specifications

Sinónimos

NSC156299 | NSC-156299 | NCGC00091619-02 | 2-oxo-2-phenylacetaldehyde | 2-oxo-2-phenyl-acetaldehyde | N45G3015PA | Q5934181 | alpha-oxobenzeneacetaldehyde | FT-0633297 | AKOS009031532 | NCGC00091619-01 | O10845 | Z1954804411 | Benzeneacetaldehyde, a-oxo-

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488181938
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181938
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)C=O
• IUPAC Name: 2-oxo-2-phenylacetaldehyde
• InChIKey: OJUGVDODNPJEEC-UHFFFAOYSA-N
• INCHI: 1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)C=O
• WGK Alemania: 3
• RTECS: MD3260000
• CAS alternativo: 78146-52-8
• PubChem CID: 14090
• Peso molecular: 152.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylacetaldehydes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylacetaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetaldehydes
• Alternative Parents: Benzoyl derivatives Aryl ketones Alpha ketoaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetaldehyde - Aryl ketone - Benzoyl - Alpha-ketoaldehyde - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.
• External Descriptors: a small molecule

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

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

ACLY Tclin ATP-citrate synthase (168 Activities)

Discover Target: ACLY

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Objetivos asociados (no humanos)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Agrobacterium tumefaciens (620 Activities)

Explore this target

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Punto de fusión (°C): ~76°C
• Peso molecular: 134.130 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 134.037 Da
• Monoisotopic Mass: 134.037 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 134.000
• 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

Referencias

1. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing.  (2021)  Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds.  Nature Communications,  12  (1): (1-12).  [PMID:34376654] [10.1038/s41467-021-25118-0]

2. Hong Pan, Qi Luo, Qiuyi Jing, Lin Chen, Ni Li, Chao Fang, Fuguo Shi.  (2025)  Multiple endogenous aldehydes amplify acetaminophen-induced liver injury.  CHEMICO-BIOLOGICAL INTERACTIONS,      [PMID:40562332] [10.1016/j.cbi.2025.111619]