2-Hydroxycyclopentane-1-carboxylic acid
Basic information
- CAS
81887-89-0- Standard SMILES
O=C(O)C1CCCC1O- InChIKey
VCHGSWURBGPKQZ-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- 2-Hydroxycyclopentane-1-carboxylic acid
- IUPAC
- 2-hydroxycyclopentane-1-carboxylic acid
- English name
- 2α-Hydroxycyclopentane-1β-carboxylic acid
- Molecular formula
- C6H10O3
- Molecular weight
- 130.14
Names & synonyms
2-hydroxycyclopentane-1-carboxylic acid81887-89-0RefChem:473416815-870-42-Hydroxycyclopentanecarboxylic acidMFCD17270607(1S,2S)-2-Hydroxy-1-cyclopentanecarboxylic acidCIS-2-HYDROXY-1-CYCLOPENTANECARBOXYLIC ACIDSCHEMBL3228177VCHGSWURBGPKQZ-UHFFFAOYSA-NGDA88789SAA50228
Show more names
2α-Hydroxycyclopentane-1β-carboxylic acid(1R,2R)-2-Hydroxycyclopentanecarboxylic acid2-hydroxycyclopentanecarboxylic acid - [H87476](1R,2R)-2-Hydroxy-1-cyclopentanecarboxylic acid
2-Hydroxycyclopentanecarboxylic acid #AKOS009159471AT25921SB84545Cyclopentanecarboxylic acid, 2-hydroxy-2-hydroxy-cyclopentane-1-carboxylic acidPS-18035SY197183
Database identifiers
- CAS
81887-89-0- PubChem CID
- 552195
- EC Number
- 815-870-4
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 62 · 62-66 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
- Boiling point
- 297.2 · 297.2±33.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- pka
- 4.48 · 4.48±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses2-Hydroxycyclopentanecarboxylic Acid is a useful reagent for organic synthesis and other chemical processes. It is used as a reagent in the preparation of BMS-457, a potent and selective CCR1 antagonist.
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Related reactions
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Compound notes
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