2-Decanone - ≥98% , CAS No.693-54-9

CAS: 693-54-9 Cat. No.: D464910 Fórmula: CH₃(CH₂)₇COCH₃ Peso molecular: 156.27 Beilstein Registry Number: 1747463 Número CE: 211-752-6

GRADE & PURITY ≥98%

Synonyms

CHEBI:77929 | 2-Decanone, 98% | GX543OLT0R | A836446 | Octyl methyl ketone | CAS-693-54-9 | AKOS009158912 | EN300-170618 | Q20054515 | FT-0612135 | n-C8H17COCH3 | BRN 1747463 | 2-Decanone, >=98% | SCHEMBL103053 | EINECS 211-752-6 | 2-Decanone, analytical

Storage

Room temperature

Specifications

Sinónimos

CHEBI:77929 | 2-Decanone, 98% | GX543OLT0R | A836446 | Octyl methyl ketone | CAS-693-54-9 | AKOS009158912 | EN300-170618 | Q20054515 | FT-0612135 | n-C8H17COCH3 | BRN 1747463 | 2-Decanone, >=98% | SCHEMBL103053 | EINECS 211-752-6 | 2-Decanone, analytical

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504752387
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752387
• Sorrisos canónicos: CCCCCCCCC(=O)C
• IUPAC Name: decan-2-one
• InChIKey: ZAJNGDIORYACQU-UHFFFAOYSA-N
• INCHI: 1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
• SMILES isoméricas: CCCCCCCCC(=O)C
• Peso molecular: 156.27
• Beilstein: 1747463
• Reaxy-Rn: 1747463
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747463&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
• Descrição: 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

Alvos associados (humanos)

CES2 Tchem Carboxylesterase 2 (583 Activities)

Discover Target: CES2

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

Alvos associados (não humanos)

Carboxylesterase (379 Activities)

Explore this target

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

Jhe CG8425-PA [Drosophila melanogaster] (21 Activities)

Discover Target: Jhe

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

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.43
• Ponto de inflamação (°F): 187°F
• Ponto de inflamação (°C): 86℃
• Ponto de ebulição (°C): 210-212℃
• Ponto de fusão (°C): 3℃
• Peso molecular: 156.260 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 156.151 Da
• Monoisotopic Mass: 156.151 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 97.000
• 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

Referências

1. Yanmei Xi, Sana Ikram, Tong Zhao, Yiwei Shao, Ruirui Liu, Fuhang Song, Baoguo Sun, Nasi Ai.  (2023)  2-Heptanone, 2-nonanone, and 2-undecanone confer oxidation off-flavor in cow milk storage.  JOURNAL OF DAIRY SCIENCE,      [PMID:37641261] [10.3168/jds.2022-23056]

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. 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]

4. Bin Lin, Fen Wang, Hongliang Wang, Xinsheng Huang, Xueqin Liu, Xuechun Wang, Chihua Wang, Yan Xing, Chunqing Dai, Yi Zheng.  (2025)  Determination of Theophylline Across Biological, Environmental and Food Matrices Using Liquid-Phase Microextraction Coupled with LC-MS/MS.  MOLECULES,  30  (18): (3797).  [PMID:41011689] [10.3390/molecules30183797]

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]

Perguntas frequentes

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 should this product be stored?

Store at room temperature.

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

The CAS Number is 693-54-9, the molecular formula is C10H20O, and the molecular weight is 156.27 g/mol. InChIKey ZAJNGDIORYACQU-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.