Results for:
PubChem ID: 6629

2-hydroperoxypropan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names
CUMENE HYDROPEROXIDE
80-15-9
Cumyl hydroperoxide
Cumenyl hydroperoxide
Hydroperoxide, 1-methyl-1-phenylethyl
Cumolhydroperoxid
Cumolhydroperoxide
7-Cumyl hydroperoxide
alpha,alpha-Dimethylbenzyl hydroperoxide
2-hydroperoxypropan-2-ylbenzene
Cument hydroperoxide
Hydroperoxyde de cumene
Hydroperoxyde de cumyle
Cumeenhydroperoxyde
Kumenylhydroperoxid
Isopropylbenzene hydroperoxide
7-Hydroperoxykumen
1-Methyl-1-phenylethyl hydroperoxide
RCRA waste number U096
Hydroperoxide de cumene
Idroperossido di cumene
Idroperossido di cumolo
Percumyl H
CCRIS 3801
HSDB 254
Hyperiz
DTXSID3024869
2-Phenylpropane-2-peroxol
UNII-PG7JD54X4I
EINECS 201-254-7
PG7JD54X4I
alpha,alpha-Dimethylbenzylhydroperoxide
Trigonox K 80
BRN 1908117
Hydroperoxide, 1-methyl-1-phenylethyl-
CHEBI:78673
Hydroperoxide, alpha,alpha-dimethylbenzyl-
PH 80
alpha-Cumyl hydroperoxide
alpha-Cumene hydroperoxide
LUPEROX CU 80
TRIGONOX K 90
Hydroperoxide, alpha,alpha-dimethylbenzyl
DTXCID404869
EC 201-254-7
4-06-00-03221 (Beilstein Handbook Reference)
.alpha.,.alpha.-Dimethylbenzyl hydroperoxide
cumylhydroperoxide
Hydroperoxide, .alpha.,.alpha.-dimethylbenzyl
Cumene Hydroperoxide (80per cent, Technical grade)
Cumolhydroperoxid [German]
Cumeenhydroperoxyde [Dutch]
Kumenylhydroperoxid [Czech]
7-Hydroperoxykumen [Czech]
Hydroperoxyde de cumene [French]
Hydroperoxyde de cumyle [French]
Idroperossido di cumene [Italian]
Idroperossido di cumolo [Italian]
RCRA waste no. U096
r 239a
isopropyl benzene hydroperoxide
cumyl-hydroperoxide
Trigonox K-95
Trigonox R 239A
KAYACUMENE H
dimethylbenzyl hydroperoxide
TRIGONOX R 239R
.alpha.-Cumyl hydroperoxide
CHP-5
.alpha.-Cumene hydroperoxide
SCHEMBL15251
CHEMBL1518369
SCHEMBL11210695
(2-Phenylpropan-2-yl)dioxidanyl
CHP-158
DTXSID00992375
2-phenylpropan-2-yl hydroperoxide
CUMENE HYDROPEROXIDE [HSDB]
Tox21_300283
MFCD00002129
STL453641
AKOS015841738
CCG-207896
UN 2116
2-PHENYL-2-PROPYL HYDROPEROXIDE
CAS-80-15-9
alpha, alpha-dimethylbenzyl hydroperoxide
NCGC00091748-01
NCGC00091748-02
NCGC00091748-03
NCGC00254045-01
Cumene hydroperoxide, technical grade, 80%
C2223
NS00009523
Cumene Hydroperoxide (80%, Technical grade)
ALPHA,ALPHA-DIMETHYLBENZENE HYDROPEROXIDE
Cumene hydroperoxide, technical, ~80% in cumene
Q414439
Microorganism:

No

IUPAC name2-hydroperoxypropan-2-ylbenzene
SMILESCC(C)(C1=CC=CC=C1)OO
InchiInChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
FormulaC9H12O2
PubChem ID6629
Molweight152.19
LogP1.7
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds benzenoids peroxides
CHEBI-ID78673
Supernatural-IDSN0457423

mVOC Specific Details

Boiling Point
DegreeReference
153 °C peer reviewed
Volatilization
The Henry's Law constant for cumene hydroperoxide is estimated as 4.7X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 3.27X10-3 mm Hg(1), and water solubility, 1.39X10+4 mg/l(2). This Henry's Law constant indicates that cumene hydroperoxide is expected to be essentially nonvolatile(3). Cumene hydroperoxide is not expected to volatilize from dry soil surfaces based upon a vapor pressure of 3.27X10-3 mm Hg(1). It is expected to rapidly decompose in soil and water(4) and consequently attenuate volatilization to the atmosphere(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data. Amer Inst Chem Eng. NY, NY: Hemisphere Pub Corp 5 Vol (1989) (2) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth Ed, Tucson, AZ: Univ AZ, of Pharmacy (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Sanchez J et al; Kirk-Othmer Encycl Chem Technol. 4th. NY, NY: Wiley 18: 230-310 (1996)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for cumene hydroperoxide can be estimated to be 2300(SRC). According to a classification scheme(2), this estimated Koc value suggests that cumene hydroperoxide is expected to have slight mobility in soil. Hydroperoxides react with multivalent metal ions and other species ubiquitous in soil and are readily reduced to the corresponding alcohols(3). Therefore, it is expected to chemically degrade rapidly in soil and is not expected to travel long distances in soil or migrate to groundwater(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Sanchez J et al; Kirk-Othmer Encycl Chem Technol. 4th. NY, NY: Wiley 18: 230-310 (1996)
Vapor Pressure
PressureReference
3.27X10-3 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Emilia Romagna, Border region area between Emilia Romagna and Marche, Molise)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no