Cyclobutanecarboxylic acid, 3-ethyl-3-methyl-
Basic information
- CAS
66016-23-7- Standard SMILES
CCC1(C)CC(C(=O)O)C1- InChIKey
PBLPMCDIRWMEMC-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- Cyclobutanecarboxylic acid, 3-ethyl-3-methyl-
- IUPAC
- 3-ethyl-3-methylcyclobutane-1-carboxylic acid
- English name
- 3-Ethyl-3-methylcyclobutanecarboxylic acid
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
3-ethyl-3-methylcyclobutane-1-carboxylic acid66016-23-7CYCLOBUTANECARBOXYLIC ACID, 3-ETHYL-3-METHYL-BRN 24314513-Ethyl-3-methyl-cyclobutanecarboxylic acidDTXSID40216229RefChem:580240DTXCID90138720899-992-33-Ethyl-3-methylcyclobutanecarboxylic acidRCA01623AKOS006240753
Show more names
3-ethyl-3-methylcyclobutane-1-carboxylicacidEN300-1717602
Database identifiers
- CAS
66016-23-7- PubChem CID
- 47803
- DTXSID
DTXSID40216229- EC Number
- 899-992-3
- Nikkaji
- J57.862B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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%)
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Related reactions
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Compound notes
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