4,4-Dimethyltetrahydrofuran-3-carboxylic acid
Basic information
- CAS
1516557-87-1- Standard SMILES
CC1(C)COCC1C(=O)O- InChIKey
SESMYJKTBPQWFX-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- 4,4-Dimethyltetrahydrofuran-3-carboxylic acid
- IUPAC
- 4,4-dimethyloxolane-3-carboxylic acid
Names & synonyms
1516557-87-14,4-Dimethyltetrahydrofuran-3-carboxylic acid4,4-dimethyloxolane-3-carboxylic acidMFCD33551038SY355863H36696EN300-3124604
Database identifiers
- CAS
1516557-87-1- PubChem CID
- 83669964
- EC Number
- 138-836-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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