Decyl acetate - ≥98% , CAS No.112-17-4

CAS: 112-17-4 Cat. No.: D110165 Formule: C₁₂H₂₄O₂ Poids moléculaire: 200.32 Numéro CE: 203-942-2

GRADE & PURITY ≥98%

Synonyms

1- DECANOL ACETATE | NSC46131 | NSC-46131 | EINECS 203-942-2 | Tox21_302572 | Acetate C-10 | FEMA 2367 | SCHEMBL155855 | DECYL ACETATE [FHFI] | CAS-112-17-4 | FEMA No. 2367 | NCGC00256820-01 | A894639 | AS-56493 | DTXSID8047189 | n-Decyl acetate | Decanyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1- DECANOL ACETATE | NSC46131 | NSC-46131 | EINECS 203-942-2 | Tox21_302572 | Acetate C-10 | FEMA 2367 | SCHEMBL155855 | DECYL ACETATE [FHFI] | CAS-112-17-4 | FEMA No. 2367 | NCGC00256820-01 | A894639 | AS-56493 | DTXSID8047189 | n-Decyl acetate | Decanyl

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488180711
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180711
• Sourires canoniques: CCCCCCCCCCOC(=O)C
• IUPAC Name: decyl acetate
• InChIKey: NUPSHWCALHZGOV-UHFFFAOYSA-N
• INCHI: 1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
• Isomères SMILES: CCCCCCCCCCOC(=O)C
• WGK Allemagne: 2
• RTECS: AG5235000
• Poids moléculaire: 200.32
• Reaxy-Rn: 1762123
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1762123&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• External Descriptors: Wax monoesters

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water
• Indice de réfraction: 1.427
• Point d'éclair (°F): 113 °C
• Point d'éclair (°C): 113°C
• Point d'ébullition (°C): 126-127°C
• Poids moléculaire: 200.320 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 200.178 Da
• Monoisotopic Mass: 200.178 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 132.000
• 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. Liuyang Wang, Yubo Wang, Xiaofang Zhang, Meijuan Fang, Xiangdong Mei, Tao Zhang.  (2025)  Identification of Female Sex Pheromone of a Plant Bug, Polymerus pekinensis Reuter (Hemiptera: Miridae).  Insects,  16  (2): (111).  [PMID:40003741] [10.3390/insects16020111]

2. Shiqiang He, Yiwei Weng, Qinghua Cheng, Zhengli Gong, Huarong Tong, Yingjuan Chen.  (2026)  Tea head as a novel by-product of Pu-erh tea: storage-induced flavor reshaping compared with loose tea.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,      [PMID:42530114] [10.1002/jsfa.70906]

Foire aux questions

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.

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 112-17-4, the molecular formula is C12H24O2, and the molecular weight is 200.32 g/mol. InChIKey NUPSHWCALHZGOV-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.