alpha-Isopropyl-p-methylbenzyl alcohol
Basic information
- CAS
18228-44-9- Standard SMILES
Cc1ccc(C(O)C(C)C)cc1- InChIKey
PKSSQQPDFFZHEU-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- alpha-Isopropyl-p-methylbenzyl alcohol
- IUPAC
- 2-methyl-1-(4-methylphenyl)propan-1-ol
- English name
- alpha-isopropyl-p-methylbenzyl alcohol
- Molecular formula
- C11H16O
- Molecular weight
- 164.24414
Names & synonyms
18228-44-92-methyl-1-(4-methylphenyl)propan-1-olalpha-Isopropyl-p-methylbenzyl alcohol4-Methyl-alpha-(1-methylethyl)benzenemethanolEINECS 242-108-2Cambridge id 5163090SCHEMBL801235SCHEMBL18242442DTXSID90939557HMS1578O20AKOS0100157854-Methyl-|A-(1-methylethyl)benzenemethanol
Show more names
2-methyl-1-(p-tolyl)propan-1-olα-Isopropyl-4-methylbenzenemethanolBenzenemethanol, 4-methyl-α-(1-methylethyl)-
NS00052657
Database identifiers
- CAS
18228-44-9- PubChem CID
- 86680
- DTXSID
DTXSID90939557- EC Number
- 242-108-2
- Nikkaji
- J266.066K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 145 · 145-147 °C(Press: 35 Torr)
- Density
- 0.965 · 0.965±0.06 g/cm3(Predicted)
- pka
- 14.43 · 14.43±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…