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
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
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- 3-propylhex-2-enoic acid
- 3-propyl-2-Hexenoic acid
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- 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 |
3-propylhex-2-enoic acid |
59117-27-0 | 50mg |
$ 160.00 | 2022-06-07 | ||
| TRC | B524725-100mg |
3-propylhex-2-enoic acid |
59117-27-0 | 100mg |
$ 250.00 | 2022-06-07 | ||
| Enamine | EN300-124842-0.05g |
3-propylhex-2-enoic acid |
59117-27-0 | 95% | 0.05g |
$135.0 | 2023-05-03 | |
| Enamine | EN300-124842-0.1g |
3-propylhex-2-enoic acid |
59117-27-0 | 95% | 0.1g |
$202.0 | 2023-05-03 | |
| Enamine | EN300-124842-0.25g |
3-propylhex-2-enoic acid |
59117-27-0 | 95% | 0.25g |
$289.0 | 2023-05-03 | |
| Enamine | EN300-124842-0.5g |
3-propylhex-2-enoic acid |
59117-27-0 | 95% | 0.5g |
$480.0 | 2023-05-03 | |
| Enamine | EN300-124842-1.0g |
3-propylhex-2-enoic acid |
59117-27-0 | 95% | 1g |
$614.0 | 2023-05-03 | |
| Enamine | EN300-124842-2.5g |
3-propylhex-2-enoic acid |
59117-27-0 | 95% | 2.5g |
$1202.0 | 2023-05-03 | |
| Enamine | EN300-124842-5.0g |
3-propylhex-2-enoic acid |
59117-27-0 | 95% | 5g |
$1779.0 | 2023-05-03 |
3-propylhex-2-enoic acid Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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