2-트리데카논 - ≥98% , CAS No.593-08-8

CAS: 593-08-8 Cat. No.: T106563 분자식: C₁₃H₂₆O 분자량: 198.34 Beilstein Registry Number: 1757402 EC 번호: 209-784-0 PubChem CID: 11622

GRADE & PURITY ≥98%

Synonyms

CAS-593-08-8 | AKOS009158653 | Mathyl undecyl kepoje | MFCD00008968 | SCHEMBL119126 | FEMA 3388 | NSC 14763 | TRIDECANONE | DTXSID4022070 | EINECS 209-784-0 | 2-TRIDECANONE [FHFI] | 2-Tridecanone, purum, >=97.0% (GC) | PD158263 | Hendecyl methyl ketone |

Storage

Room temperature

Shipped In

보통

개요

2-트리데카논은 양파 구근에 대한 토양 개량제의 영향을 연구하는 데 사용되었습니다.

Specifications

동의어

CAS-593-08-8 | AKOS009158653 | Mathyl undecyl kepoje | MFCD00008968 | SCHEMBL119126 | FEMA 3388 | NSC 14763 | TRIDECANONE | DTXSID4022070 | EINECS 209-784-0 | 2-TRIDECANONE [FHFI] | 2-Tridecanone, purum, >=97.0% (GC) | PD158263 | Hendecyl methyl ketone |

사양 및 순도

≥98%

보관 조건

Room temperature

배송

보통

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488181399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181399
• 정식 스마일: CCCCCCCCCCCC(=O)C
• IUPAC Name: tridecan-2-one
• InChIKey: CYIFVRUOHKNECG-UHFFFAOYSA-N
• INCHI: 1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
• 이성체 SMILES: CCCCCCCCCCCC(=O)C
• WGK 독일: 2
• PubChem CID: 11622
• 분자량: 198.34
• Beilstein: 1757402
• Reaxy-Rn: 1757402

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• External Descriptors: a ketone

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

관련 대상(비인간)

Meloidogyne incognita (862 Activities)

Explore this target

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

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

작용 메커니즘

화학 및 물리적 특성

• 동결점(°C): 27 °C
• 굴절률: 1.435
• 발화점(°F): 224.6 °F
• 발화점(°C): 107℃
• 끓는점(°C): 263°C
• 녹는점(°C): 24-27°C
• 분자량: 198.340 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 198.198 Da
• Monoisotopic Mass: 198.198 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 129.000
• 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

참고 문헌

1. Wenwen Song, Mingming Dai, Shasha Gao, Yindong Mi, Shijia Zhang, Jianyong Wei, Honghai Zhao, Fangmeng Duan, Chen Liang, Qianqian Shi.  (2023)  Volatile organic compounds produced by Paenibacillus polymyxa J2-4 exhibit toxic activity against Meloidogyne incognita.  PEST MANAGEMENT SCIENCE,      [PMID:37899496] [10.1002/ps.7859]

2. Tao Tang, Fanfan Wang, Houyun Huang, Nengneng Xie, Jie Guo, Xiaoliang Guo, Yuanyuan Duan, Xiaoyue Wang, Qingfang Wang, Jingmao You.  (2024)  Antipathogenic Activities of Volatile Organic Compounds Produced by Bacillus velezensis LT1 against Sclerotium rolfsii LC1, the Pathogen of Southern Blight in Coptis chinensis.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:38657235] [10.1021/acs.jafc.4c00984]

3. Chengrui Liang, Shuxiao Wang, Bin Zhao, Boyang Feng, Qipeng Qu, Liang Zhu, Jiming Hao.  (2025)  Impact of Molecular Structure on Secondary Organic Aerosol Formation from Aliphatic Carbonyls.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40552609] [10.1021/acs.est.5c00793]

4. Deng Zhongyuan, Fang Liying, Cheng Lan, Yang Lihong, Zong Ruyi, Ding Qian, Wang Lixiang, Ni Xinzhi, Li Xianchun.  (2025)  Specialist/generalist divergence: phylogenetic constraints on the correlation between allelochemical tolerance spectra and host ranges of herbivorous insects.  JOURNAL OF PEST SCIENCE,  99  (1): (10).  [PMID:] [10.1007/s10340-025-02005-x]

5. Qiangbo Zhao, Ruhan Xia, Pengxiang Han, Jiangyuan Han, Weihua Zhao, Xiangyan Zhou, Fuqiang Xu, Wenzhi Yao, Jianhe Wei, Miaoyin Dong, Mengfei Li.  (2026)  Biocontrol efficiency and potential mechanism of Bacillus subtilis GNRP-01A against Astragalus mongholicus root rot.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2026.122842]

6. 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]

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 593-08-8, the molecular formula is C13H26O, and the molecular weight is 198.34 g/mol. InChIKey CYIFVRUOHKNECG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.