2-Dodecanone - ≥98%(GC) , CAS No.6175-49-1

CAS: 6175-49-1 Cat. No.: D154643 Formule: C₁₂H₂₄O Poids moléculaire: 184.32 Numéro CE: 228-222-5

GRADE & PURITY ≥98%(GC)

Synonyms

A833406 | AS-14475 | Decyl methyl ketone | Q27161470 | n-DECYL METHYL KETONE | D89937 | Dodecanone-(2) | EINECS 228-222-5 | MFCD00015064 | CHEBI:89284 | 2-Dodecanone, 95% | UNII-P5CN8YSV3P | METHYL DECYL KETONE | AI3-28136 | D1862 | 2-Dodecanone | DTXSID4

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

A833406 | AS-14475 | Decyl methyl ketone | Q27161470 | n-DECYL METHYL KETONE | D89937 | Dodecanone-(2) | EINECS 228-222-5 | MFCD00015064 | CHEBI:89284 | 2-Dodecanone, 95% | UNII-P5CN8YSV3P | METHYL DECYL KETONE | AI3-28136 | D1862 | 2-Dodecanone | DTXSID4

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488182765
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182765
• Sourires canoniques: CCCCCCCCCCC(=O)C
• IUPAC Name: dodecan-2-one
• InChIKey: LSKONYYRONEBKA-UHFFFAOYSA-N
• INCHI: 1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
• Isomères SMILES: CCCCCCCCCCC(=O)C
• Poids moléculaire: 184.32
• Reaxy-Rn: 1703135
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703135&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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: Oxygenated hydrocarbons

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.433
• Point d'éclair (°F): 230°F
• Point d'éclair (°C): 110℃
• Point d'ébullition (°C): 247℃
• Point de fusion (°C): 17-21℃
• Poids moléculaire: 184.320 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 184.183 Da
• Monoisotopic Mass: 184.183 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 118.000
• 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

Références

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. Kun Wang, Ziyan Lin, Jin Dou, Mingguo Jiang, Naikun Shen, Jing Feng.  (2023)  Identification and Surveys of Promoting Plant Growth VOCs from Biocontrol Bacteria Paenibacillus peoriae GXUN15128.  Microbiology Spectrum,  11  (3):   [PMID:36988498] [10.1128/spectrum.04346-22]

3. 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]

4. Yan Zhang, Huan Liu, Shan Yu, Ruocheng Pei, Haiyang Hu, Weiwei Wang, Ping Xu, Hongzhi Tang.  (2025)  Characterization of C16–C36 alkane degradation and oily sludge bioremediation by Rhodococcus erythropolis XP.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,      [PMID:41334916] [10.1128/aem.02124-25]

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]