Cas no 59117-27-0 (3-propylhex-2-enoic acid)

3-Propylhex-2-enoic acid is an unsaturated carboxylic acid featuring a six-carbon backbone with a propyl substituent at the third position and a double bond between carbons 2 and 3. This structure imparts reactivity useful in organic synthesis, particularly in the formation of esters, amides, and other derivatives. The presence of both the carboxylic acid group and the alkene functionality allows for diverse chemical modifications, making it a versatile intermediate in pharmaceuticals, agrochemicals, and specialty chemicals. Its defined molecular architecture ensures consistent performance in reactions such as Michael additions or catalytic hydrogenations. The compound is typically handled under inert conditions to preserve its unsaturated moiety.
3-propylhex-2-enoic acid structure
3-propylhex-2-enoic acid structure
Product Name:3-propylhex-2-enoic acid
CAS No:59117-27-0
MF:C9H16O2
MW:156.222143173218
CID:1616403
PubChem ID:3042130
Update Time:2025-06-08

3-propylhex-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-propylhex-2-enoic acid
    • 3-propyl-2-Hexenoic acid
    • Inchi: 1S/C9H16O2/c1-3-5-8(6-4-2)7-9(10)11/h7H,3-6H2,1-2H3,(H,10,11)
    • InChI Key: LMCKTTNJLDJGTQ-UHFFFAOYSA-N
    • SMILES: OC(/C=C(\CCC)/CCC)=O

Computed Properties

  • Exact Mass: 156.11508
  • Monoisotopic Mass: 156.11503
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 140
  • 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: 37.3

Experimental Properties

  • Density: 0.945
  • Boiling Point: 260.4°C at 760 mmHg
  • Flash Point: 167.2°C
  • Refractive Index: 1.459
  • PSA: 37.3

3-propylhex-2-enoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B524725-10mg
3-propylhex-2-enoic acid
59117-27-0
10mg
$ 50.00 2022-06-07
TRC
B524725-50mg
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$ 160.00 2022-06-07
TRC
B524725-100mg
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$ 250.00 2022-06-07
Enamine
EN300-124842-0.05g
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$135.0 2023-05-03
Enamine
EN300-124842-0.1g
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$202.0 2023-05-03
Enamine
EN300-124842-0.25g
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$289.0 2023-05-03
Enamine
EN300-124842-0.5g
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$480.0 2023-05-03
Enamine
EN300-124842-1.0g
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$614.0 2023-05-03
Enamine
EN300-124842-2.5g
3-propylhex-2-enoic acid
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$1202.0 2023-05-03
Enamine
EN300-124842-5.0g
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$1779.0 2023-05-03

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