Diisopropylbenzene

CAT: 0127-OR1028053-01Size: 25 mLDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1028053-01Size:25 mL

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

25321-09-9

Synonyms

1,2-di (propan-2-yl) benzene

Purity

98%, mixture of isomers

Smiles

CC(C)C1=CC=CC=C1C(C)C

Chemical Information

Bis(1-methylethyl)benzene

CAS Number	25321-09-9
PubChem CID	11345
IUPAC Name	1,2-di(propan-2-yl)benzene
Molecular Formula	C12H18
Molecular Weight	162.27
XLogP	4.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	108

SMILES

CC(C)C1=CC=CC=C1C(C)C

InChI

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

InChIKey

OKIRBHVFJGXOIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25321-09-9

CID: 11345

Formula: C12H18

MW: 162.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.27
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	162.140850574
Monoisotopic Mass	162.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	108
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1023575-01	1,3-Diisopropenylbenzene
OR1009257-01	1,4-Diisopropenylbenzene

Catalog	Name
sc-485032	Diisopropylbenzene
sc-237763	1,4-Diisopropylbenzene
273068-01	1,3-Diisopropylbenzene
D32390-01	M-Diisopropylbenzene 97%
ABA32109	Diisopropylbenzene (mixture of isomers)
AR-B06360-01	1,2-Diisopropylbenzene
D32605	P-Diisopropylbenzene 97%
HY-W101642S	1,3-Diisopropylbenzene-d18
273069-01	A, a'-Dihydroxy-1,3-diisopropylbenzene
HCA19017	2-Bromo-1,3-diisopropylbenzene