chempirical

1,3,5-Triethylbenzene

C12H18CAS 102-25-0162.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C12H18
Molar mass
162.28 g/mol
Exact mass
162.1409 Da
Density
0.8621 g/mL (at 20 °C)
Melting point
−66.5 °C
Boiling point
215.9 °C
logP
3.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
102-25-0
SMILES
CCc1cc(CC)cc(CC)c1
InChIKey
WJYMPXJVHNDZHD-UHFFFAOYSA-N
InChI
InChI=1S/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3

Weigh it out

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Names and synonyms

2 names
  • Benzene, 1,3,5-triethyl-
  • NSC 406584

Work with 1,3,5-Triethylbenzene

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

1,3-Diethylbenzene141-93-565 % similar 1,4-Diethylbenzene105-05-560 % similar 1-Ethyl-3,5-difluorobenzene117358-52-858 % similar Ethylbenzene100-41-450 % similar 2-Ethylnaphthalene939-27-550 % similar 4-Ethyltoluene622-96-845 % similar 2,6-Di-tert-butyl-4-ethylphenol4130-42-144 % similar 4-Ethyl-1,2-benzenediol1124-39-643 % similar

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

Same formula

1,4-Diisopropylbenzene100-18-5 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 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene7641-77-2

Elsewhere

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