2-Cyclopropyl-2-methylpropanoic acid
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Basic information
- CAS
71199-13-8- Standard SMILES
CC(C)(C(=O)O)C1CC1- InChIKey
UNNZYCYDGUQDDK-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 2-Cyclopropyl-2-methylpropanoic acid
- IUPAC
- 2-cyclopropyl-2-methylpropanoic acid
- English name
- 2-cyclopropyl-2-methylpropanoic acid
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
2-cyclopropyl-2-methylpropanoic acid71199-13-8RefChem:471126851-370-2MFCD192287982-methyl-2-(cyclopropyl)propionic acidSCHEMBL9827941SCHEMBL98279472-cyclopropyl-2-methylpropanoicacidWCA199132-cyclopropyl-2-methyl-propanoic acidAKOS006376292
Show more names
Cyclopropaneacetic acid, α,α-dimethyl-2-Cyclopropyl-2-methylpropanoic acidnew
AT29335CCG-358809SY161993DB-217451EN300-170822F515420F8886-5279Z1205494855
Database identifiers
- CAS
71199-13-8- PubChem CID
- 53936680
- EC Number
- 851-370-2
- Nikkaji
- J1.315.648D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 218.4 · 218.4±8.0 °C(Predicted)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.86 · 4.86±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H315-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H302-H315-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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