1,3-Diisopropylbenzene

1,3-Diisopropylbenzene
Names
	Preferred IUPAC name 1,3-Di(propan-2-yl)benzene
	Other names m-Diisopropylbenzene
Identifiers
CAS Number	99-62-7;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL31352;
ChemSpider	7170;
ECHA InfoCard	100.002.521
EC Number	202-773-1;
PubChem CID	7450;
UNII	482VXW192E;
CompTox Dashboard (EPA)	DTXSID8026640 ;
	InChI InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3 Key: UNEATYXSUBPPKP-UHFFFAOYSA-N;
	SMILES CC(C)C1=CC(=CC=C1)C(C)C;
Properties
Chemical formula	C12H18
Molar mass	162.276 g·mol−1
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
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 [77 °F], 100 kPa). Infobox references

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.^[1] It is the principal industrial precursor to resorcinol via the Hock rearrangement.^[2]

References

^ 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.
^ 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.

[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.

[1]

[2]

Names

Preferred IUPAC name 1,3-Di(propan-2-yl)benzene
Other names m-Diisopropylbenzene
Identifiers
CAS Number	99-62-7
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL31352
ChemSpider	7170
ECHA InfoCard	100.002.521
EC Number	202-773-1
PubChem CID	7450
UNII	482VXW192E
CompTox Dashboard (EPA)	DTXSID8026640
InChI InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3 Key: UNEATYXSUBPPKP-UHFFFAOYSA-N
SMILES CC(C)C1=CC(=CC=C1)C(C)C
Properties
Chemical formula	C₁₂H₁₈
Molar mass	162.276 g·mol⁻¹
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
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 [77 °F], 100 kPa). Infobox references