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Cumene Hydroperoxide (80%, Technical grade)

CAT: 0572-TRC-C834600-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C834600-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80-15-9
Synonyms
1-Methyl-1-phenylethyl Hydroperoxide; alpha,alpha-Dimethylbenzyl Hydroperoxide; 1-Methyl-1-phenylethyl Hydroperoxide; 2-Hydroperoxy-2-phenylpropane; 2-Phenyl-2-propyl Hydroperoxide; 2-Phenylpropyl Hydroperoxide; 7-Cumyl Hydroperoxide; CHP; CHP 158; CHP 5; CHP 90; CHPO; CU 90; Cumen Hydroperoxide; Cumene Hydroperoxide; Cumenyl Hydroperoxide; Cumyl Hydrogen peroxide; Cumyl hydroperoxide; H 80; Hyperis; Hyperiz; Isopropylbenzene Hydroperoxide; Kayacumene H; Luperox CU 80; Luperox CU 90; PH 80; Percumyl H; Percumyl H 18; Percumyl H 80; Percumyl H 90; R 239A; Trigonox K 80; Trigonox K 90; Trigonox R 239A; Trigonox R 239R; alpha,alpha-Dimethylbenzyl Hydroperoxide; alpha-Cumene Hydroperoxide; alpha-Cumyl Hydroperoxide
Hazard Statement
Heating may cause a fire or explosion; UN number: UN3109
Smiles
CC(C)(OO)c1ccccc1
Molecular Formula
C9H12O2
Molecular Weight
152.19
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Cumene Hydroperoxide

Cumene hydroperoxide is a peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group. It has a role as a Mycoplasma genitalium metabolite, an oxidising agent and an environmental contaminant. It derives from a hydride of a cumene.

CAS Number80-15-9
PubChem CID6629
IUPAC Name2-hydroperoxypropan-2-ylbenzene
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP1.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity115
SMILES
CC(C)(C1=CC=CC=C1)OO
InChI
InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKey
YQHLDYVWEZKEOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cumene Hydroperoxide
CAS: 80-15-9
CID: 6629
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes