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

CAS: 122-03-2 Cat. No.: C117706 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)

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

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

References

1. Hui Li, Keren Agyekumwaa Addo, Yi-gang Yu, Xing-long Xiao.  (2023)  Cuminaldehyde inhibits biofilm formation by affecting the primary adhesion of Staphylococcus aureus.  SOUTH AFRICAN JOURNAL OF BOTANY,      [PMID:] [10.1016/j.sajb.2023.02.031]

2. Zuobing Xiao, Chengjing Wu, Xinyu Lu, Yunwei Niu, Peiran Yu, Xiaojie Ma.  (2023)  Substituent effect on controlled release of fragrant aldehydes from pH-triggered nicotinoylhydrazone-based precursors.  Molecular Systems Design & Engineering,  8  (6): (767-774).  [PMID:] [10.1039/D2ME00279E]

3. Xu Zhang, Li-Hua Hu, Da-Wei Song, Yang Hu, Jiong Chen.  (2022)  Evaluation on prevention and treatment of cuminaldehyde in culture of shrimp against white spot syndrome virus.  AQUACULTURE,      [PMID:] [10.1016/j.aquaculture.2022.738760]

4. Changyue Deng, Chuan Cao, Yingying Zhang, Jingwei Hu, Yongqiang Gong, Mingming Zheng, Yibin Zhou.  (2021)  Formation and stabilization mechanism of β-cyclodextrin inclusion complex with C10 aroma molecules.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2021.107013]

5. Chenghui Zhang, Changzhu Li, Tariq Aziz, Metab Alharbi, Haiying Cui, Lin Lin.  (2024)  Screening of E. coli O157:H7 AI-2 QS inhibitors and their inhibitory effect on biofilm formation in combination with disinfectants.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.103821]

6. Liu Dazhao, Reymick Okwong Oketch, Luo Yuwei, Chen Xin, Che JinXin, Tao Nengguo.  (2025)  Cuminaldehyde: a potent antifungal agent for managing postharvest blue mold disease in Citrus reticulata Blanco cv. Ponkan.  WORLD JOURNAL OF MICROBIOLOGY & BIOTECHNOLOGY,  41  (5): (1-11).  [PMID:40289242] [10.1007/s11274-025-04367-x]

7. Yao Wang, Junhua Qiu, Chengwei Wang, Ruiyu Yang, Fuyou Guo, Tian Li, Shili Li, Lei Yang, Wei Ding.  (2026)  Sustainable Strategy of Natural trans-Anethole in Controlling Bacterial Wilt: Virulence Suppression and Beneficial Microbiome Enrichment.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41568748] [10.1021/acs.jafc.5c13627]