Methyl 2-cyclobutyl-2-hydroxyacetate
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Basic information
- CAS
1517761-58-8- Standard SMILES
COC(=O)C(O)C1CCC1- InChIKey
SLHBAAQBWSDPLW-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- Methyl 2-cyclobutyl-2-hydroxyacetate
- IUPAC
- methyl 2-cyclobutyl-2-hydroxyacetate
- English name
- methyl 2-cyclobutyl-2-hydroxyacetate
- Molecular formula
- C7H12O3
- Molecular weight
- 144.16838
Names & synonyms
methyl 2-cyclobutyl-2-hydroxyacetate1517761-58-8RefChem:814365817-094-1methyl 2-cyclobutyl-2-hydroxy-acetateMFCD23914423SCHEMBL28755738methyl2-cyclobutyl-2-hydroxyacetateSKC76158AKOS019052053SY419441CS-0375673
Show more names
Cyclobutaneacetic acid, α-hydroxy-, methyl ester
H26882EN300-1242120
Database identifiers
- CAS
1517761-58-8- PubChem CID
- 80488124
- EC Number
- 817-094-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 212.1 · 212.1±13.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 13.1 · 13.10±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H227-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H227-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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