Cas no 7779-70-6 (Nonanoic acid,3-methylbutyl ester)

Nonanoic acid,3-methylbutyl ester structure
7779-70-6 structure
Product Name:Nonanoic acid,3-methylbutyl ester
CAS No:7779-70-6
MF:C14H28O2
MW:228.370924949646
CID:565376
Update Time:2025-04-19

Nonanoic acid,3-methylbutyl ester Chemical and Physical Properties

Names and Identifiers

    • Nonanoic acid,3-methylbutyl ester
    • ISO-AMYL PELARGONATE
    • iso-AMYL-PELARGONATE
    • Isoamyl nonoate
    • Isopentyl nonanoate
    • Nonanoic acid, isopentyl ester
    • Inchi: 1S/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3
    • InChI Key: SHGMLOSSRPFLKG-UHFFFAOYSA-N
    • SMILES: CCCCCCCCC(OCCC(C)C)=O

Computed Properties

  • Exact Mass: 228.20904
  • Monoisotopic Mass: 228.20893
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 11
  • Complexity: 164
  • 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: 26.3

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 0.86?g/mL?at 25?°C(lit.)
  • Boiling Point: 260?°C(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.429(lit.)
  • PSA: 26.3
  • LogP: 4.32630
  • FEMA: 2078 | ISOAMYL NONANOATE

Nonanoic acid,3-methylbutyl ester Security Information

  • WGK Germany:3

Nonanoic acid,3-methylbutyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
SA04000-SAmPLE
Nonanoic acid,3-methylbutyl ester
7779-70-6
SAmPLE
¥738.0 2021-09-03
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