tert-Butyl 3-oxocyclopentane-1-carboxylate
Basic information
- CAS
174195-95-0- Standard SMILES
CC(C)(C)OC(=O)C1CCC(=O)C1- InChIKey
VWGRUBYATPOSGE-UHFFFAOYSA-N- Molecular formula
- C10H16O3
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.10994437
Names & identifiers
- Preferred name
- tert-Butyl 3-oxocyclopentane-1-carboxylate
- IUPAC
- tert-butyl 3-oxocyclopentane-1-carboxylate
- English name
- tert-butyl 3-oxocyclopentanecarboxylate
- Molecular formula
- C10H16O3
- Molecular weight
- 184.23
Names & synonyms
tert-Butyl 3-oxocyclopentane-1-carboxylate174195-95-0DTXSID40554274RefChem:383432DTXCID70505057832-841-1tert-butyl 3-oxocyclopentanecarboxylateCyclopentanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl esterMFCD16293726SCHEMBL1139839VWGRUBYATPOSGE-UHFFFAOYSA-NSB13928
Show more names
SB13929SB13930tert-Butyl 3-Oxocyclopentane carboxylateDA-09277SY040965G31171EN300-6482694A1-31537
Database identifiers
- CAS
174195-95-0- PubChem CID
- 14009986
- DTXSID
DTXSID40554274- EC Number
- 832-841-1
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 251.4 · 251.4±33.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- 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
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
6 records
Compound notes
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