1,4-Diisopropylbenzene

C₁₂H₁₈CAS 100-18-5162.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₈
Molar mass: 162.28 g/mol
Exact mass: 162.1409 Da
Density: 0.8568 g/mL (at 20 °C)
Melting point: −17.1 °C
Boiling point: 210.3 °C
logP: 3.93Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation74.7% of notifiers
H335 May cause respiratory irritation14.7% of notifiers
H336 May cause drowsiness or dizziness14.7% of notifiers
H361 Suspected of damaging fertility or the unborn child14.7% of notifiers
H400 Very toxic to aquatic life16% of notifiers
H410 Very toxic to aquatic life with long lasting effects16% of notifiers
H413 May cause long lasting harmful effects to aquatic life52% of notifiers

Aggregated from 75 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P271, P273, P280, P302+P352, P304+P340, P318, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

100-18-5

SMILES

CC(C)c1ccc(C(C)C)cc1

InChIKey

SPPWGCYEYAMHDT-UHFFFAOYSA-N

InChI

InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3

Weigh it out

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

Names and synonyms

9 names

Benzene, 1,4-bis(1-methylethyl)-
Benzene, p-diisopropyl-
1,4-Bis(1-methylethyl)benzene
p-Diisopropylbenzene
p-Di-iso-propylbenzene
NSC 84198
1,4-Bis(isopropyl)benzene
1,4-Di(propan-2-yl)benzene
1,4-Bis(propan-2-yl)benzene

Work with 1,4-Diisopropylbenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

P-Cymene99-87-671 % similar Cumene98-82-869 % similar 1-Iodo-4-isopropylbenzene17356-09-167 % similar 1-Bromo-4-isopropylbenzene586-61-867 % similar 4-Isopropylaniline99-88-767 % similar 4-Isopropylphenol99-89-867 % similar 4-Isopropylbiphenyl7116-95-263 % similar 2,6-Diisopropylnaphthalene24157-81-161 % similar

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

Same formula

1,3,5-Triethylbenzene102-25-0 Hexylbenzene1077-16-3 1,2,4-Trivinylcyclohexane2855-27-8 1,5,9-Cyclododecatriene4904-61-4 Trans,trans,trans-1,5,9-cyclododecatriene676-22-2 Cyclododecatriene706-31-0 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-0 Hexamethylbenzene87-85-4

Elsewhere

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