Basic information
- CAS
3445-42-9- Standard SMILES
CC(C)c1ccc(C(C)(C)O)cc1- InChIKey
VBSMBCNJCBKQFP-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Overview
P-Hydroxydiisopropylbenzene is a monoterpenoid.
Names & identifiers
- Preferred name
- Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
- IUPAC
- 2-(4-propan-2-ylphenyl)propan-2-ol
- English name
- 4-Isopropyl-α,α-dimethylbenzyl alcohol
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
alpha-Hydroxy-alpha'-(tert-butylperoxy)diisopropylbenzeneBenzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-RefChem:563477Benzenemethanol, [1-[(1,1-dimethylethyl)dioxy]-1-methylethyl]-.alpha.,.alpha.-dimethyl-3445-42-9p-Hydroxydiisopropylbenzene2-[4-(propan-2-yl)phenyl]propan-2-ol2-(4-propan-2-ylphenyl)propan-2-ol2-(4-isopropylphenyl)propan-2-ol2-(4-iso-propylphenyl)-2-propanolp-Oxidiisopropylbenzene4-Isopropyl-alpha,alpha-dimethylbenzyl alcohol
Show more names
2-(p-Cumenyl)-2-propanol2-(4-isopropyl-phenyl)-propan-2-ol4-Isopropyl-α,α-dimethylbenzyl alcoholα,α-Dimethyl-4-isopropylbenzyl alcoholBenzenemethanol, α,α-dimethyl-4-(1-methylethyl)-benzyl alcohol,alpha-alpha-diMethyl-p-isopropyl-
MFCD00021802Benzenemethanol, alpha,alpha-dimethyl-4-(1-methylethyl)-alpha,alpha-dimethyl-4-isopropylbenzyl alcoholNSC-51062-(4-isopropyl-phenyl)-2-propanolBenzyl alcohol, .alpha.,.alpha.-dimethyl-p-isopropyl-Benzenemethanol, .alpha.,.alpha.-dimethyl-4-(1-methylethyl)-NSC 5106
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
- 13
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 42.5 · 42.5-43.0 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 70 °C · 70 °C(Press: 0.1 Torr)
- Density
- 0.952 · 0.952±0.06 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.29(Predicted)
- FDA UNII
- 36 EQ56EZ · GH36EQ56EZ
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanol, [1-[(1,1-dimethylethyl)dioxy]-1-methylethyl]-.alpha.,.alpha.-dimethyl-: INACTIVE
Additional notes
DefinitionChEBI: P-Hydroxydiisopropylbenzene is a monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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