1-Cyclopropyl-1-(3,4-dimethoxyphenyl)ethanol
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Basic information
- CAS
1339438-00-4- Standard SMILES
COc1ccc(C(C)(O)C2CC2)cc1OC- InChIKey
OCZAPVLUWFLFSB-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
Names & identifiers
- Preferred name
- 1-Cyclopropyl-1-(3,4-dimethoxyphenyl)ethanol
- IUPAC
- 1-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanol
- English name
- 1-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanol
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28
Names & synonyms
1-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanol1339438-00-41-cyclopropyl-1-(3,4-dimethoxyphenyl)ethan-1-ol1-(3,4-Dimethoxyphenyl)-1-cyclopropyl ethanolMFCD17222327AKOS012081639AB90500CS-0275588F3970791-(1-(3,4-dimethoxyphenyl)cyclopropyl)ethan-1-olα-Cyclopropyl-3,4-dimethoxy-α-methylbenzenemethanolBenzenemethanol, α-cyclopropyl-3,4-dimethoxy-α-methyl-
Database identifiers
- CAS
1339438-00-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 336.748 · 336.748±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at Room Tem.
- pka
- 14.179 · 14.179±0.29(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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