(±)-Citronellal - ≥96% , CAS No.106-23-0

CAS: 106-23-0 Cat. No.: C110150 Molecular Weight: 154.25 Beilstein Registry Number: 1720789 EC Number: 203-376-6

GRADE & PURITY ≥96%

Synonyms

3,7-dimethyloct-6-en-1-al | cymbopogon winterianus | EINECS 203-376-6 | 3,7-Dimethyloct-6-enal 6-Octenal | AKOS000121405 | CITRONELLOL,(D) | EN300-21458 | 2,3-Dihydrocitral | CITRONELLAL [FCC] | P50009 | (+/-)-Citronellal | 6-Octenal,7-dimethyl- | FT-0623

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

(±)-Citronellal was studied for its fumigant antifungal activity against Pyricularia (Magnaporthe) grisea
(±)-Citronellal was used to inhibit the development of mechanical nociception induced by carrageenan (CG) and tumor necrosis factor-α (TNF-α).

Specifications

Synonyms

3, 7-dimethyloct-6-en-1-al | cymbopogon winterianus | EINECS 203-376-6 | 3, 7-Dimethyloct-6-enal 6-Octenal | AKOS000121405 | CITRONELLOL, (D) | EN300-21458 | 2, 3-Dihydrocitral | CITRONELLAL [FCC] | P50009 | (+/-)-Citronellal | 6-Octenal, 7-dimethyl- | FT-0623

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504751456
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751456
• Canonical Smiles: CC(CCC=C(C)C)CC=O
• IUPAC Name: 3,7-dimethyloct-6-enal
• InChIKey: NEHNMFOYXAPHSD-UHFFFAOYSA-N
• INCHI: 1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
• Isomeric SMILES: CC(CCC=C(C)C)CC=O
• WGK Germany: 2
• RTECS: RH2140000
• Molecular Weight: 154.25
• Beilstein: 1720789
• Reaxy-Rn: 1720789
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720789&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: Acyclic monoterpenoids
• Alternative Parents: Medium-chain aldehydes Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• External Descriptors: citronellal

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)

TAS2R43 Tchem Taste receptor type 2 member 43 (0 Activities)

Discover Target: TAS2R43

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly miscible with water and ethanol.
• Sensitivity: Air & light sensitive
• Refractive Index: 1.444-1.45
• Flash Point(°F): 186.8 °F
• Flash Point(°C): 86 °C
• Boil Point(°C): 89°C/11mmHg
• Molecular Weight: 154.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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2. Chen Ruixu, Chen Cong, Zhao Xudong, Chen Li, Xu Tian, Hao Dejun.  (2023)  Identification and potential application of a putative allomone component in the defensive secretion of a destructive invasive species: the red-necked longhorn beetle, Aromia bungii.  JOURNAL OF PEST SCIENCE,      [PMID:] [10.1007/s10340-023-01649-x]

3. Xingran Kou, Yaqi Zhang, Dongdong Su, Hui Wang, Xin Huang, Yunwei Niu, Qinfei Ke, Zuobing Xiao, Qingran Meng.  (2023)  Study on host-guest interaction of aroma compounds/γ-cyclodextrin inclusion complexes.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2023.114589]

4. Shuzhen Yang, Min He, Dongmei Li, John Shi, Litao Peng, Liu Jinjing.  (2023)  Antifungal activity of 40 plant essential oil components against Diaporthe fusicola from postharvest kiwifruits and their possible action mode.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2022.116102]

5. Ai-Ai Zhou, Rong-Yu Li, Fei-Xu Mo, Yi Ding, Ruo-Tong Li, Xue Guo, Ke Hu, Ming Li.  (2022)  Natural Product Citronellal can Significantly Disturb Chitin Synthesis and Cell Wall Integrity in Magnaporthe oryzae.  Journal of Fungi,  8  (12): (1310).  [PMID:36547643] [10.3390/jof8121310]

6. Chenxi Wang, Chao Qiu, Chen Zhan, David Julian McClements, Yang Qin, Aiquan Jiao, Zhengyu Jin, Jinpeng Wang.  (2021)  Green Preparation of Robust Hydrophobic β-Cyclodextrin/Chitosan Sponges for Efficient Removal of Oil from Water.  LANGMUIR,      [PMID:34866397] [10.1021/acs.langmuir.1c02299]

7. Qiuli OuYang, Yangmei Liu, Okwong Reymick Oketch, Miaoling Zhang, Xingfeng Shao, Nengguo Tao.  (2021)  Citronellal Exerts Its Antifungal Activity by Targeting Ergosterol Biosynthesis in Penicillium digitatum.  Journal of Fungi,  7  (6): (432).  [PMID:34072578] [10.3390/jof7060432]

8. Guo-Feng Mao, Xiao-Chang Mo, Hatem Fouad, Ghulam Abbas, Jian-Chu Mo.  (2018)  Attraction behaviour of Anagrus nilaparvatae to remote lemongrass (Cymbopogon distans) oil and its volatile compounds.  NATURAL PRODUCT RESEARCH,      [PMID:28503948] [10.1080/14786419.2017.1326486]

9. Xiao-wei Huang, Yun-chao Feng, Yi Huang, Hai-ling Li.  (2013)  Chemical composition, antioxidant and the possible use as skin-care ingredient of clove oil (Syzygium aromaticum (L.) Merr. & Perry) and citronella oil (Cymbopogon goeringii) from China.  JOURNAL OF ESSENTIAL OIL RESEARCH,      [PMID:] [10.1080/10412905.2013.775082]

10. Jilong Wang, Qianzhu Lin, Chao Qiu, David Julian McClements, Hangyan Ji, Zhengyu Jin.  (2024)  Composite biopolymer foams fabricated from natural aldehyde functionalized chitosan-whey protein amyloid fibrils: Application for removal of phthalate esters from water.  CARBOHYDRATE POLYMERS,      [PMID:39562067] [10.1016/j.carbpol.2024.122789]

11. Haoran Pei, Gang Xie, Xiang Yao, Shenghui Wang, Jin Yan, Liangying Dai, Yunsheng Wang.  (2024)  Exploring the binding affinity and characteristics of DcitOBP9 in citrus psyllids.  GENE,      [PMID:38759737] [10.1016/j.gene.2024.148551]

12. Gege Sun, Jinhua Gong, David Julian McClements, Shilin Liu, Bin Li, Yan Li.  (2024)  Imine-bond reinforced double interface in water-in-oil-in-water emulsions and application on Lactobacillus plantarum encapsulation.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2024.110379]

13. Jingxian Niu, Qianzhu Lin, Xiaojing Li, David Julian McClements, Hangyan Ji, Zhengyu Jin, Chao Qiu.  (2024)  Pickering emulsions stabilized by essential oil-tannin-chitosan particles: Microstructure, stability, antibacterial activity, and antioxidant activity.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2024.110145]

14. Qinfei Ke, Jiamin Zhu, Dongdong Su, Fei Pan, Qingran Meng, Xingran Kou.  (2024)  Preparation, physicochemical characterization, and computational studies of aldehyde aroma compounds/cyclodextrin inclusion complexes.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2024.118245]

15. Donghui Li, Shanshan Hu, Huanhuan Cui, Jinqi Xu, David Julian McClements, Shilin Liu, Bin Li, Yan Li.  (2024)  Universality of in situ interfacial aldehyde-protein Schiff-based reaction in the construction of protein-stabilized emulsions: Formation, interfacial properties and digestion behavior.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2024.110979]

16. Hamza Tariq, Peiyu Chen, Gang Wang, Siyuan Xie, Lanning Wang, Jingkun Lv, Fei Wang, Muhammad Saqib Bilal, Abdur Rashid Khan, Nasir Ahmed Rajput, Danyu Shen, Daolong Dou.  (2025)  Trans-2-decenal inhibits Alternaria alternata through disruption of redox homeostasis and membrane integrity.  PEST MANAGEMENT SCIENCE,      [PMID:40948311] [10.1002/ps.70223]

17. Shihan Su, Jia Zhou, Yexiong Huang, Wen Li, Changhai Zhu, Jie Yang, Xiaowei Zhang, Jiangshan Chen, Mingyu Pi, Mingdong Yi, Dingke Zhang.  (2025)  Multifunctional Optoelectronic Memristor Based on MEH-PPV/C60 Heterojunction for Artificial Synapses and Bionic Visual System with Fear Sensing.  IEEE SENSORS JOURNAL,      [PMID:] [10.1109/JSEN.2025.3578211]

18. Baicun Chen, Qianzhu Lin, Xiaojing Li, Hangyan Ji, Zhengyu Jin, Chao Qiu.  (2025)  Synthesis of amino acid-grafted cyclodextrins based on dry heat esterification and characterization of their properties.  FOOD CHEMISTRY,      [PMID:41172684] [10.1016/j.foodchem.2025.146816]

19. Wu Yang, Wu Qingyang, Zhou Ziwei, Deng Tingting, Sun Yun.  (2025)  Identification of key aromatic compounds responsible for sweetening sensory effect in Jinmudan black tea though flavoromics and molecular modeling.  Food Chemistry-X,      [PMID:41438562] [10.1016/j.fochx.2025.103314]

20. Xiumei Chen, Chen Zhu, Junyu Chen, Chaobo Bing, Qiuli Ouyang, Xiangrong Zhu, Nengguo Tao.  (2026)  Carboxymethyl cellulose/polyvinyl alcohol aerogel incorporating cinnamaldehyde-citronellal synergy for controlling green mold decay in citrus fruit.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2026.114187]

21. Lili He, Liming Dai, Yifan Li, Tianwei Yang, Yun Zhao, Liming Fan, Fawu Su, Zhiying Cai, Min Ye.  (2026)  Multi-Target Antifungal Mechanism of Vapor-Phase Cymbopogon citratus Essential Oil: Effective Control of Postharvest Botrytis cinerea and Powdery Mildew.  Foods,  15  (3): (583).  [PMID:41683169] [10.3390/foods15030583]

22. Yi-wen Qian, Yao Lu, Miao-miao Chang, Qian-qian Niu, Jia-xin Fan, Shi-ying Xing, Peng Li, Ling Liu.  (2026)  Citronellal Alleviates Myocardial Senescence by Enhancing Mitochondrial Autophagy via AMPKα–PINK1/Parkin Pathway.  PHYTOTHERAPY RESEARCH,      [PMID:41622030] [10.1002/ptr.70241]