2-Cyclopropyl-2-propanol
Basic information
- CAS
930-39-2- Standard SMILES
CC(C)(O)C1CC1- InChIKey
ITQVACMQJLOIDS-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 2-Cyclopropyl-2-propanol
- IUPAC
- 2-cyclopropylpropan-2-ol
- English name
- 1-Cyclopropyl-1-methylethanol
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
930-39-22-Cyclopropyl-2-propanolRefChem:471133664-870-92-cyclopropylpropan-2-ol1-Cyclopropyl-1-methylethanol2-Cyclopropyl-propan-2-olMFCD00019247NSC-179299NSC179299Dimethylcyclopropylcarbinoldimethylcyclopropyl Carbinol
Show more names
2-Cyclopropylpropane-2-ol2-CYCLOPROPYL-2-HYDROXYPROPANE1-Cyclopropyl-1-hydroxypropaneCyclopropanemethanol, α,α-dimethyl-CyclopropaneMethanol, a,a-diMethyl-
7FZL6C3JY81-Methyl-1-cyclopropylethanolSCHEMBL456619SCHEMBL1679060SCHEMBL2320554SCHEMBL3948377SCHEMBL27720348SCHEMBL27720414
Database identifiers
- CAS
930-39-2- PubChem CID
- 301459
- DTXSID
DTXSID00306675- UNII
- 7FZL6C3JY8
- EC Number
- 664-870-9
- Nikkaji
- J47.459B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.2
Physicochemical properties
- Boiling point
- 124 °C · 124 °C
- Density
- 0.8844 g/cm3 · 0.8844 g/cm3
- storage temp.
- 2 · 2-8°C
- pka
- 15.24 · 15.24±0.29(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H319
- Precautionary statements
- 305 · P305+P351+P338
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
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H302-H319
- Precautionary statements
- P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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