chempirical

α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol

C12H18O2CAS 2948-46-1194.27 g/mol

Open in Covalent MOL file
OHOH
Alcohol

Properties

Molecular formula
C12H18O2
Molar mass
194.27 g/mol
Exact mass
194.1307 Da
Density
1.1 g/mL
Melting point
141–142 °C
logP
2.14Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2948-46-1
SMILES
CC(C)(O)c1ccc(C(C)(C)O)cc1
InChIKey
LEARFTRDZQQTDN-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

17 names · show all
  • 1,4-Benzenedimethanol, α1,α1,α4,α4-tetramethyl-
  • p-Xylene-α,α′-diol, α,α,α′,α′-tetramethyl-
  • 1,4-Benzenedimethanol, α,α,α′,α′-tetramethyl-
  • α,α′-Dihydroxy-p-diisopropylbenzene
  • α,α,α′,α′-Tetramethyl-p-xylylenediol
  • p-Bis(2-hydroxyisopropyl)benzene
  • 1,4-Bis(2-hydroxy-2-propyl)benzene
  • α,α,α′,α′-Tetramethyl-p-benzenedimethanol
  • p-Bis(α-hydroxyisopropyl)benzene
  • Dicumyl alcohol
  • 1,4-Bis(1-hydroxy-1-methylethyl)benzene
  • 1,4-Di(2-hydroxy-2-propyl)benzene
  • 1,4-Bis(α-hydroxyisopropyl)benzene
  • 1,4-Bis(2-propanol)benzene
  • α,α,α′,α′-Tetramethyl-1,4-benzenedimethanol
  • 1,4-Bis(1-methyl-1-hydroxyethyl)benzene
  • 2-[4-(2-Hydroxypropan-2-yl)phenyl]propan-2-ol

Work with α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Phenyl-2-propanol617-94-774 % similar 2-(4-Bromophenyl)propan-2-ol2077-19-271 % similar 2-(4-Fluorophenyl)-2-propanol402-41-571 % similar 2-(6-Bromo-3-pyridyl)-2-propanol477252-29-252 % similar 2-(6-Aminopyridin-3-yl)propan-2-ol843643-03-852 % similar 1,4-Di-tert-butylbenzene1012-72-242 % similar 1,1-Bis(4-chlorophenyl)ethanol80-06-838 % similar Tris(4-hydroxyphenyl)ethane27955-94-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Hexylresorcinol136-77-6 1,1-Dimethylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate154970-45-3 4-(Hexyloxy)phenol18979-55-0 [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-7 3,5-Di(propan-2-yl)phenyl hydroperoxide26762-93-6 7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)37777-16-5 1-Adamantaneacetic acid4942-47-6 Sedanolide6415-59-4

Elsewhere

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