HuagongsheHuagongshe Chemistry Print Report · For research reference only
rac-(1R,4S)-4-hydroxycyclopent-2-en-1-yl acetate
(1S-cis)-4-Acetoxy-2-cyclopenten-1-ol · (1R,4S)-4-hydroxycyclopent-2-en-1-yl acetate · 4-HYDROXYCYCLOPENT-2-EN-1-YL ACETATE · (1S,4R)-CIS-4-ACETOXY-2-CYCLOPENTEN-1-OL · (1R,3S)-(+)-CIS-4-CYCLOPENTENE-1,3-DIOL 1-ACETATE · (1S,4R)-4-Acetoxy-2-cyclopenten-1-ol · cis-4-Cyclopentene-1,3-diol 1-acetate · CIS-4-HYDROXYCYCLOPENT-2-ENYL ACETATE
Identifiers & Physical Properties
| CAS No. | 60410-16-4 |
|---|---|
| Molecular formula | C7H10O3 |
| Average molar mass | 142.15 g/mol |
| Monoisotopic mass | 142.06299418 g/mol |
| SMILES | CC(=O)O[C@H]1C=C[C@@H](O)C1 |
| InChIKey | IJDYOKVVRXZCFD-RQJHMYQMSA-N |
| PubChem CID | 10154103 |
| EC No. | 875-433-9 |
| DTXSID | DTXSID00436209 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 162 |
| Melting point | 49-52 °C |
| Boiling point | 208.0±40.0 °C(Predicted) |
| Density | 1.17±0.1 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,2-8°C |
| Physical state | Low Melting Solid |
| pKa (acidity coefficient) | 14.11±0.40(Predicted) |
| Color | Off-white to beige |
| optical activity | [α]20/D +68°, c = 2.3 in chloroform |
| BRN | 4663992 |
| InChI | InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7+/m1/s1 |
| InChIKey | IJDYOKVVRXZCFD-RQJHMYQMSA-N |
| SMILES | [C@H]1(OC(=O)C)C=C[C@@H](O)C1 |
| UNSPSC Code | 12352108 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| F | 10 |
| Hazard class | IRRITANT |
| Customs code | 29162000 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| F | 10 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29162000 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard class | IRRITANT |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
(1S,4R)-cis-4-Acetoxy-2-cyclopenten-1-ol can be used as:A building block for the synthesis of biologically significant carbocyclic nucleosides and prostaglandins.A starting material in the synthesis of azasugar analogs.