Undecanal - ≥97% , CAS No.112-44-7

CAS: 112-44-7 Cat. No.: U105593 Molecular Weight: 170.29 Beilstein Registry Number: 1753213 EC Number: 203-972-6 PubChem CID: 8186

GRADE & PURITY ≥97%

Synonyms

DTXCID901688 | 100 | Hendecanaldehyde | NCGC00248685-01 | U0009 | UNDECANAL [FHFI] | Undecanal, 97% | UNDECANAL (ALDEHYDE C-11 UNDECYLIC) | BRN 1753213 | Undecanaldehyde | B6P0A9PSHN | EN300-1721289 | DB04093 | FEMA No. 3092 | Aldehyde C-11 | Undecylic al

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXCID901688 | 100 | Hendecanaldehyde | NCGC00248685-01 | U0009 | UNDECANAL [FHFI] | Undecanal, 97% | UNDECANAL (ALDEHYDE C-11 UNDECYLIC) | BRN 1753213 | Undecanaldehyde | B6P0A9PSHN | EN300-1721289 | DB04093 | FEMA No. 3092 | Aldehyde C-11 | Undecylic al

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488180723
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180723
• Canonical Smiles: CCCCCCCCCCC=O
• IUPAC Name: undecanal
• InChIKey: KMPQYAYAQWNLME-UHFFFAOYSA-N
• INCHI: 1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
• Isomeric SMILES: CCCCCCCCCCC=O
• WGK Germany: 3
• RTECS: YQ1500000
• PubChem CID: 8186
• UN Number: 1988
• Molecular Weight: 170.29
• Beilstein: 1753213
• Reaxy-Rn: 1753213

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• External Descriptors: Fatty aldehydes

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in dipropylene glycol, fixed oils, propylene glycol and water (14.27 mg/L at 25°C)
• Sensitivity: Air Sensitive
• Refractive Index: 1.4322
• Flash Point(°F): 203°F
• Flash Point(°C): 113 °C
• Boil Point(°C): 116-117°C
• Melt Point(°C): -4°C
• Molecular Weight: 170.290 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 170.167 Da
• Monoisotopic Mass: 170.167 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 89.000
• 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. Dongzhu Huang, Mengru Li, Hong Wang, Maoyin Fu, Shaode Hu, Xiaochun Wan, Zhuochen Wang, Qi Chen.  (2023)  Combining gas chromatography-ion mobility spectrometry and olfactory analysis to reveal the effect of filled-N2 anaerobic treatment duration on variation in the volatile profiles of gabaron green tea.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2023.114630]

2. 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]

3. Xiangying Yu, Xiaochun Chen, Yuting Li, Lin Li.  (2022)  Effect of Drying Methods on Volatile Compounds of Citrus reticulata Ponkan and Chachi Peels as Characterized by GC-MS and GC-IMS.  Foods,  11  (17): (2662).  [PMID:36076849] [10.3390/foods11172662]

4. Yihao Liu, Haoyi Niu, Chengwei Wang, Xiaoxiao Yang, Wentao Li, Yuxin Zhang, Xiaojun Ma, Yuanjing Xu, Pengfei Zheng, Jinwu Wang, Kerong Dai.  (2022)  Bio-inspired, bio-degradable adenosine 5′-diphosphate-modified hyaluronic acid coordinated hydrophobic undecanal-modified chitosan for hemostasis and wound healing.  Bioactive Materials,      [PMID:35386451] [10.1016/j.bioactmat.2022.01.025]

5. Jilai Cui, Xiaoting Zhai, Danyang Guo, Wenkai Du, Ting Gao, Jie Zhou, Wilfried G. Schwab, Chuankui Song.  (2021)  Characterization of Key Odorants in Xinyang Maojian Green Tea and Their Changes During the Manufacturing Process.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34932338] [10.1021/acs.jafc.1c06473]

6. Yanqin Shi, Songyan Lu, Biao Ma, Si Chen, Meng Ma, Huiwen He, Xu Wang.  (2021)  A new method for designing bis-uracil derivatives as highly efficient and transparent PVC thermal stabilizer with excellent migration resistance.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2021.109504]

7. Yiqi Zhang, Xuting Ma, Zhiyuan Dai.  (2019)  Comparison of nonvolatile and volatile compounds in raw, cooked, and canned yellowfin tuna (Thunnus albacores).  JOURNAL OF FOOD PROCESSING AND PRESERVATION,  43  (10): (e14111).  [PMID:] [10.1111/jfpp.14111]

8. Hui Liu, Xiaoxia Xue, Tiesheng Li, Jiong Wang, Wenjian Xu, Minghua Liu, Penglei Chen, Yangjie Wu.  (2016)  A simple, recyclable, and self-assembled palladium(II)–alkyl Schiff base complex for Suzuki coupling reaction: chain length dependence and heterogeneous catalysis.  RSC Advances,  6  (88): (84815-84824).  [PMID:] [10.1039/C6RA14864F]

9. Guanmian Wei, Ziyi Zhang, Feiran Zhao, Yaxin Sang, Joe M. Regenstein, Peng Zhou.  (2024)  Characteristic aroma compounds during the fermentation of Chinese steamed bread fermented with different starters.  FOOD CHEMISTRY,      [PMID:38901353] [10.1016/j.foodchem.2024.140151]

10. Longzhu Zhou, Yimeng Ren, Yujie Shi, Shijie Fan, Liyuan Zhao, Miaomiao Dong, Jing Li, Youyou Yang, Yanan Yu, Qingyu Zhao, Junmin Zhang, Chaohua Tang.  (2024)  Comprehensive foodomics analysis reveals key lipids affect aroma generation in beef.  FOOD CHEMISTRY,      [PMID:39186890] [10.1016/j.foodchem.2024.140954]

11. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang.  (2024)  Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef.  Heliyon,      [PMID:39253161] [10.1016/j.heliyon.2024.e36382]

12. Naidong Li, Chunxia Song, Shaoyun Shan, Hongfei Gao, Najla AlMasoud, Changfu Zhuang, Taghrid S. Alomar, Zeinhom M. El-Bahy, Hassan Algadi, Juanna Ren, Zhanhu Guo, Juan Xu.  (2025)  Synthesis and performance of novel liquid aviation fuels from biomass-derived β-pinene and various aldehydes.  RENEWABLE ENERGY,      [PMID:] [10.1016/j.renene.2025.124245]

13. Shu-Jian Zheng, Ya-Lan Wang, Ping Liu, Zheng Zhang, Lei Yu, Bi-Feng Yuan, Yu-Qi Feng.  (2017)  Stable isotope labeling-solid phase extraction-mass spectrometry analysis for profiling of thiols and aldehydes in beer.  FOOD CHEMISTRY,      [PMID:28764013] [10.1016/j.foodchem.2017.05.090]

14. Huaying Liu, Qisong Xing, Chenyu Zhu, Qineng Wang, Keding Lu, Song Guo, Zhijun Wu, Min Hu, Shao-Meng Li, Maosheng Yao.  (2025)  Exposure to Endotoxin Oxidized by Atmospheric Ozone Greatly Enhances Anemia.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40172485] [10.1021/acs.est.4c14589]

15. Guohe Chen, Wanling Xiao, Zhichao Lin, Mengzhen Xia, Yajie Xue, Jing Zhang, Sudu Bao, Junye Zhu, He Xie, Jianan Huang, Zhonghua Liu, Chao Wang.  (2025)  Unraveling the mysterious jujube-like aroma in Pu-erh tea: Decoding the material basis for distinctive aroma formation.  FOOD RESEARCH INTERNATIONAL,      [PMID:40467208] [10.1016/j.foodres.2025.116620]

16. Xiaoying Li, Gang Li, Haijing Wang, Chunsheng Liu, Chunrui Rong, Fuhang Song, Caixia Chen, Junkai Wu.  (2025)  Characterization of volatile flavor profiles in three peach cultivars during postharvest storage at various temperatures using HS-SPME-GC–MS.  Food Chemistry-X,      [PMID:40497035] [10.1016/j.fochx.2025.102554]

17. 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]

18. Zhiye Yan, Weiwei Tang, Bin Li.  (2025)  Expanding Metabolome Coverage in LC–MS/MS Analysis through Hydralazine-Based Multifunctional Derivatization.  ANALYTICAL CHEMISTRY,      [PMID:41277254] [10.1021/acs.analchem.5c02101]

19. Lingling Cao, Junjie Lu, Yinglu Chen, Yajie Du, Shuqiong Yang, Zhiqiang Yan, Qingling Zheng, Pengfei Duan.  (2026)  Biocontrol potential of endophytic strain Pseudomonas chlororaphis subsp. piscium YX-3 isolated from Morchella against white mold disease.  BIOLOGICAL CONTROL,      [PMID:] [10.1016/j.biocontrol.2026.106024]