1,4-Pentadien-3-ol
- CAS No.
- 922-65-6
- Chemical Name:
- 1,4-Pentadien-3-ol
- Synonyms
- Penta-1,4-dien-3-ol;DIVINYL CARBINOL;SKL099;1,4-PENTADIEN-3-OL;1,4-PENTADIENE-3-OL;1,4-PENTADIEN-3-OL 97+%;Diethenylmethyl alcohol;3-Hydroxy-1,4-pentadiene;1,4-Pentadien-3-ol, stabilized, 98%;1,4-Pentadien-3-ol ISO 9001：2015 REACH
- CBNumber:
- CB0335748
- Molecular Formula:
- C5H8O
- Molecular Weight:
- 84.12
- MOL File:
- 922-65-6.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/7/24 8:54:07
| Boiling point | 115-116 °C (lit.) |
|---|---|
| Density | 0.865 g/mL at 25 °C (lit.) |
| refractive index |
n |
| Flash point | 86 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| pka | 13.68±0.20(Predicted) |
| form | Liquid |
| color | Clear colorless |
| BRN | 1735809 |
| Stability | Volatile |
| InChI | InChI=1S/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2 |
| InChIKey | ICMWSAALRSINTC-UHFFFAOYSA-N |
| SMILES | C=CC(O)C=C |
| CAS DataBase Reference | 922-65-6(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H226-H302-H412 |
| Precautionary statements | P210-P233-P240-P241-P273-P301+P312 |
| Hazard Codes | Xn |
| Risk Statements | 10-22 |
| RIDADR | UN 1987 3/PG 3 |
| WGK Germany | 3 |
| HazardClass | 3.2 |
| PackingGroup | III |
| HS Code | 29052990 |
1,4-Pentadien-3-ol price More Price(2)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 324663 | 1,4-Pentadien-3-ol contains 0.4% hydroquinone as stabilizer, ≥96% | 922-65-6 | 5G | ₹11593.58 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 324663 | 1,4-Pentadien-3-ol contains 0.4% hydroquinone as stabilizer, ≥96% | 922-65-6 | 25G | ₹40420.55 | 2022-06-14 | Buy |
1,4-Pentadien-3-ol Chemical Properties,Uses,Production
Uses
Starting material for asymmetric epoxidation.1,2
Uses
1,4-Pentadien-3-ol is a valuable building block in natural product synthesis. This chemical is a substrate employed in synthesising amino-substituted dienes via a bismuth-catalyzed SN1 displacement of alcohols by sulfonamide nucleophiles. Starting material for asymmetric epoxidation.
Structure and conformation
1,4-pentadien-3-ol (CH2=CH-CH(OH)-CH=CH2) is a representative allyl alcohol containing two C=C bonds and one hydroxyl group. It has a complicated conformational landscape arising from the rotations of three σ-bonds, i.e. three dihedral angles of ?(C7=C6-C1-O3), ?(C5=C4-C1-O3), and ?(H8-O3-C1-H2). Experiments and ab initio calculations revealed that the 1,4-pentadien-3-ol monomer prefers a configuration with one vinyl being syn to the hydroxyl oxygen and the hydroxyl hydrogen toward the skew-arranged vinyl, which therefore makes possible simultaneous C-H···O and O-H···π interactions[1].
References
[1] Zhen Wang. “Conformations and structures of 1,4-pentadien-3-ol and its water complex characterized by rotational spectroscopy.” Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 267 (2022): Article 120589.
1,4-Pentadien-3-ol Preparation Products And Raw materials
1,4-Pentadien-3-ol Suppliers
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|---|---|---|---|---|---|
| CHEMAZON LABORATORIES | +91 9848551964 | Hyderabad, India | 1320 | 58 | Inquiry |
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