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1,3-Diisopropylbenzene

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1,3-Diisopropylbenzene
Names
Preferred IUPAC name 1,3-Di(propan-2-yl)benzene
Other names m-Diisopropylbenzene
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard 100.002.521 Edit this at Wikidata
EC Number
  • 202-773-1
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3Key: UNEATYXSUBPPKP-UHFFFAOYSA-N
SMILES
  • CC(C)C1=CC(=CC=C1)C(C)C
Properties
Chemical formula C12H18
Molar mass 162.276 g·mol
Appearance Colorless liquid
Density 0.8559
Melting point −63 °C (−81 °F; 210 K)
Boiling point 203 °C (397 °F; 476 K)
Solubility in water 0.0425 g/L
Hazards
GHS labelling:
Pictograms GHS07: Exclamation markGHS08: Health hazardGHS09: Environmental hazard
Signal word Warning
Hazard statements H335, H336, H361, H410
Precautionary statements P201, P202, P261, P271, P273, P281, P304+P340, P308+P313, P312, P391, P403+P233, P405, P501
Autoignition
temperature 		449 °C; 840 °F; 722 K
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

1,3-Diisopropylbenzene is an aromatic hydrocarbon with the formula C6H4(CHMe2)2 (Me = CH3). It is one of three isomeric diisopropylbenzenes. This colorless liquid is prepared by thermal isomerization of 1,4-diisopropylbenzene over a solid acid catalyst. It is the principal industrial precursor to resorcinol via the Hock rearrangement.

References

  1. Corma, A.; Fornes, V.; Pergher, S. B.; Maesen, Th. L. M.; Buglass, J. G. (1998). "Delaminated Zeolite Precursors as Selective Acidic Catalysts". Nature. 396 (6709): 353–356. Bibcode:1998Natur.396..353C. doi:10.1038/24592. S2CID 4394973.
  2. K. W. Schmiedel; D. Decker (2012). "Resorcinol". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a23_111.pub2. ISBN 978-3527306732.
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