Cas no 98841-69-1 (nonyl heptanoate)

nonyl heptanoate structure
nonyl heptanoate structure
Product Name:nonyl heptanoate
CAS No:98841-69-1
MF:C16H32O2
MW:256.424085617065
CID:860703
PubChem ID:53437836
Update Time:2025-04-19

nonyl heptanoate Chemical and Physical Properties

Names and Identifiers

    • nonyl heptanoate
    • SCHEMBL245782
    • 98841-69-1
    • DTXSID80701164
    • heptanoic acid nonyl ester
    • Inchi: 1S/C16H32O2/c1-3-5-7-9-10-11-13-15-18-16(17)14-12-8-6-4-2/h3-15H2,1-2H3
    • InChI Key: XCQXSYSIKVLBKE-UHFFFAOYSA-N
    • SMILES: O(C(CCCCCC)=O)CCCCCCCCC

Computed Properties

  • Exact Mass: 256.24
  • Monoisotopic Mass: 256.24
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 14
  • Complexity: 178
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2
  • XLogP3: 6.5

Experimental Properties

  • Density: 0.866
  • Boiling Point: 305.524°C at 760 mmHg
  • Flash Point: 139.769°C
  • Refractive Index: 1.439

nonyl heptanoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: Cesium manganese oxide ;  48 h, 150 °C
Reference
Aerobic Self-Esterification of Alcohols Assisted by Mesoporous Manganese and Cobalt Oxide
Moharreri, Ehsan ; et al, ChemCatChem, 2019, 11(15), 3413-3422

nonyl heptanoate Raw materials

nonyl heptanoate Preparation Products

Recommended suppliers
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd