Cuminaldehyde - ≥97% , CAS No.122-03-2

CAS: 122-03-2 Cat. No.: C117706 Fórmula: C₁₀H₁₂O Peso molecular: 148.2 Beilstein Registry Number: 636547 Número EC: 204-516-9

CALIDAD & PUREZA ≥97%

Synonyms

cuminic aldehyde | p-cumic aldehyde | WLN: VHR DY1 & 1 | cuminal | EC 204-516-9 | HY-Y0790 | bmse000508 | cuminaldehyde | P-ISOPROPYLBENZALDEHYDE | p-iso-Propylbenzaldehyde | p-isopropyl-Benzaldehyde | Cumin aldehyde | p-(1-methylethyl)benzaldehyde | CHEB

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Cuminaldehyde increases the insulin secretion in streptozotocin-induced diabetic rats. It suppresses melanin formation in cultured murine B16-F10 melanoma cells.
Cuminaldehyde has been used to study larvicidal and adulticidal toxicity of monoterpenes against Culex pipiens. It has been used in evaluation of chemical composition, antimicrobial and antioxidant activities of essential oil and various extracts of Eucalyptus gilii.

Especificaciones

Sinónimos

cuminic aldehyde | p-cumic aldehyde | WLN: VHR DY1 & 1 | cuminal | EC 204-516-9 | HY-Y0790 | bmse000508 | cuminaldehyde | P-ISOPROPYLBENZALDEHYDE | p-iso-Propylbenzaldehyde | p-isopropyl-Benzaldehyde | Cumin aldehyde | p-(1-methylethyl)benzaldehyde | CHEB

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504750377

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750377

Sonrisas canónicas

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

IUPAC Name

4-propan-2-ylbenzaldehyde

InChIKey

WTWBUQJHJGUZCY-UHFFFAOYSA-N

INCHI

1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3

Isómeros SMILES

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

WGK Alemania

2

RTECS

CU7000000

Peso molecular

148.2

Beilstein

636547

Reaxy-Rn

636547

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636547&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Cumenes Benzoyl derivatives Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - Benzaldehyde - Benzoyl - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

Objetivos asociados (no humanos)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Spodoptera littoralis (798 Activities)

Explore this target

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

Corticium (78 Activities)

Explore this target

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

Theba pisana (23 Activities)

Explore this target

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
• Índice de refracción: 1.529-1.532
• Punto de inflamación (°F): 199.4 °F
• Punto de inflamación (°C): 93℃
• Punto de ebullición (°C): 234-235°C
• Peso molecular: 148.200 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.089 Da
• Monoisotopic Mass: 148.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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