Mesitylene 98% For Synthesis

CAT: 1278-01684 00500Size: 500 mLDry Ice: NoHazardous: No

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CAT#:1278-01684 00500Size:500 mL

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CAS Number

108-67-8

HS Code

29029090

Packaging Group

Chemical Information

Mesitylene

1,3,5-trimethylbenzene is a trimethylbenzene carrying methyl substituents at positions 1, 3 and 5.

CAS Number	108-67-8
PubChem CID	7947
IUPAC Name	1,3,5-trimethylbenzene
Molecular Formula	C9H12
Molecular Weight	120.19
XLogP	3.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	55

SMILES

CC1=CC(=CC(=C1)C)C

InChI

InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3

InChIKey

AUHZEENZYGFFBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-67-8

CID: 7947

Formula: C9H12

MW: 120.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	120.19
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	120.093900383
Monoisotopic Mass	120.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	55
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

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Catalog	Name
168400500	Mesitylene 98% For Synthesis
1131320 500	Mesitylene For Synthesis (1,3,5-Trimethylbenzene)
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