(2R,5S)-5-((tert-butoxy)carbonyl)oxolane-2-carboxylic acid
Basic information
- CAS
1807941-56-5- Standard SMILES
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)O)O1- InChIKey
BGJSOJNNUVVKLL-RQJHMYQMSA-N- Molecular formula
- C10H16O5
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.09977361
Names & identifiers
- Preferred name
- (2R,5S)-5-((tert-butoxy)carbonyl)oxolane-2-carboxylic acid
- IUPAC
- (2R,5S)-5-[(2-methylpropan-2-yl)oxycarbonyl]oxolane-2-carboxylic acid
- English name
- cis,rac-(2R,5S)-5-[(tert-Butoxy)carbonyl]oxolane-2-carboxylic Acid
- Molecular formula
- C10H16O5
- Molecular weight
- 216.23
Names & synonyms
2044705-39-5(2R,5S)-5-[(tert-butoxy)carbonyl]oxolane-2-carboxylic acid1807941-56-5rac-(2R,5S)-5-[(tert-butoxy)carbonyl]oxolane-2-carboxylic acid(2R,5S)-5-((tert-butoxy)carbonyl)oxolane-2-carboxylic acidrac-(2R,5S)-5-((tert-butoxy)carbonyl)oxolane-2-carboxylic acidRefChem:397669100-467-1891-249-1rac-(2R,5S)-5-[(tert-butoxy)carbonyl]oxolane-2-carboxylic acid, cis(2R,5S)-5-[(2-methylpropan-2-yl)oxycarbonyl]oxolane-2-carboxylic acidcis,rac-(2R,5S)-5-[(tert-Butoxy)carbonyl]oxolane-2-carboxylic Acid
Show more names
EN300-209869EN300-315258
Database identifiers
- CAS
1807941-56-5、2044705-39-5- PubChem CID
- 97539656
- EC Number
- 100-467-1、891-249-1
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 326.5 · 326.5±42.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 3.32 · 3.32±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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