Cas no 104613-83-4 (2-Pentenal,2-methyl-4-oxo-, (Z)- (9CI))

2-Pentenal,2-methyl-4-oxo-, (Z)- (9CI) structure
104613-83-4 structure
Product Name:2-Pentenal,2-methyl-4-oxo-, (Z)- (9CI)
CAS No:104613-83-4
MF:C6H8O2
MW:112.126522064209
CID:205163
PubChem ID:6442907
Update Time:2025-04-19

2-Pentenal,2-methyl-4-oxo-, (Z)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Pentenal,2-methyl-4-oxo-, (Z)- (9CI)
    • (2Z)-2-methyl-4-oxopent-2-enal
    • (Z)-2-methyl-4-oxopent-2-enal
    • 104613-83-4
    • 2-Pentenal, 2-methyl-4-oxo-, (Z)-
    • 2-Pentenal, 2-methyl-4-oxo-, (Z)- (9CI)
    • Inchi: 1S/C6H8O2/c1-5(4-7)3-6(2)8/h3-4H,1-2H3/b5-3-
    • InChI Key: PFLPZDBOPDYOJU-HYXAFXHYSA-N
    • SMILES: O=C(C)/C=C(\C=O)/C

Computed Properties

  • Exact Mass: 112.05244
  • Monoisotopic Mass: 112.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 134
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 34.1A^2
  • XLogP3: 0

Experimental Properties

  • Density: 0.971
  • Boiling Point: 208.6°C at 760 mmHg
  • Flash Point: 74.5°C
  • Refractive Index: 1.432
  • PSA: 34.14
Recommended suppliers
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Enjia Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd