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

CAS: 122-03-2 Cat. No.: C117706 Formula: C₁₀H₁₂O Molecular Weight: 148.2 Beilstein Registry Number: 636547 EC Number: 204-516-9

GRADE & PURITY ≥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

Overview

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.

Specifications

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

Specifications & Purity

≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

504750377

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

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

WGK Germany

2

RTECS

CU7000000

Molecular Weight

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
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

Associated Targets(non-human)

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)

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

Theba pisana (23 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.529-1.532
• Flash Point(°F): 199.4 °F
• Flash Point(°C): 93℃
• Boil Point(°C): 234-235°C
• Molecular Weight: 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