Results for:
chemical Classification: peroxides

2-hydroperoxy-1,4-dioxane

Compound Details

Synonymous names
1,4-Dioxanyl hydroperoxide
4722-59-2
Dioxane hydroperoxide
Hydroperoxide, 1,4-dioxan-2-yl-
p-Dioxan-2-yl hydroperoxide
Hydroperoxide, 1,4-dioxan-2-yl
p-Dioxane hydroperoxide
p-Dioxanyl hydroperoxide
SCHEMBL8895005
1,4-DIOXANE-2-PEROXOL
DTXSID30963775
RYQFWBSHDMXCOY-UHFFFAOYSA-N
1,4-Dioxan-2-yl hydroperoxide #
Microorganism:

Yes

IUPAC name2-hydroperoxy-1,4-dioxane
SMILESC1COC(CO1)OO
InchiInChI=1S/C4H8O4/c5-8-4-3-6-1-2-7-4/h4-5H,1-3H2
FormulaC4H8O4
PubChem ID107326
Molweight120.1
LogP-0.8
Atoms8
Bonds1
H-bond Acceptor4
H-bond Donor1
Chemical Classificationperoxides heterocyclic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1-hydroperoxyhexane

Compound Details

Synonymous names
Hydroperoxide, hexyl
Hexyl hydroperoxide
4312-76-9
1-Hydroperoxyhexane
dioxaoctane
n-C6H13OOH
SCHEMBL1072676
DTXSID60195709
RZICEOJUAFHYFO-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC name1-hydroperoxyhexane
SMILESCCCCCCOO
InchiInChI=1S/C6H14O2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3
FormulaC6H14O2
PubChem ID138185
Molweight118.17
LogP1.9
Atoms8
Bonds5
H-bond Acceptor2
H-bond Donor1
Chemical Classificationperoxides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


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


1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

Compound Details

Synonymous names
ASCARIDOLE
Ascaridol
512-85-6
1,4-Peroxido-p-menthene-2
Ascaridiol
1,4-Peroxy-p-menth-2-ene
1,4-Epidioxy-p-menth-2-ene
Ascaricum
Ascarisin
Askaridol
cis-Ascaridole
NSC 406266
CHEBI:2866
2,3-Dioxabicyclo[2.2.2]oct-5-ene, 1-methyl-4-(1-methylethyl)-
1-Methyl-4-(1-methylethyl)-2,3-dioxabicyclo(2.2.2)oct-5-ene
2,3-Dioxabicyclo(2.2.2)oct-5-ene, 1-isopropyl-4-methyl-
2,3-Dioxabicyclo(2.2.2)oct-5-ene, 1-methyl-4-(1-methylethyl)-
1,4-Epidioxy-2-p-menthene
NSC-406266
NSC-406924
p-Menth-2-ene, 1,4-epidioxy-
1-methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
EINECS 208-147-4
UNII-1718D0GEVJ
2, 1-isopropyl-4-methyl-
p-Menth-2-ene,4-epidioxy-
AI3-11049
1-Isopropyl-4-methyl-2,3-Dioxabicyclo(2.2.2)oct-5-ene
1-Isopropyl-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene
4-methyl-1-(propan-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
2, 1-methyl-4-(1-methylethyl)-
WLN: T66 A B AO BO DUTJ CY F
1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene
Ascaridole (organic peroxide) [Forbidden]
Uncinacina
Ascapurin
4-methyl-1-(propan-2-yl)-2,3-dioxabicyclo(2.2.2)oct-5-ene
1-methyl-4-(propan-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Kebal II
SCHEMBL156673
Discontiuned Unable to ship""
1, 4-Peroxy-p-menth-2-ene
CHEMBL467614
1, 4-Epidioxy-p-menth-2-ene
NSC406266
NSC406924
AKOS004910035
TS-08412
HY-118494
CS-0066135
NS00010548
C09836
Q419442
1-isopropyl-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene
1-Isopropyl-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene #
1-Methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene, 9CI
Microorganism:

No

IUPAC name1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene
SMILESCC(C)C12CCC(C=C1)(OO2)C
InchiInChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3
FormulaC10H16O2
PubChem ID10545
Molweight168.23
LogP2.3
Atoms12
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationterpenes peroxides
CHEBI-ID2866
Supernatural-IDSN0225388

mVOC Specific Details

Boiling Point
DegreeReference
112 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium OxysporumNAMoisan et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium Oxysporum1/5th PDA mediumGC-MSno


2-tert-butylperoxy-2-methylpropane

Compound Details

Synonymous names
Di-tert-butyl peroxide
110-05-4
tert-Butyl peroxide
Di-t-butyl peroxide
t-Butyl peroxide
Cadox
Peroxide, bis(1,1-dimethylethyl)
Trigonox B
2-(tert-Butylperoxy)-2-methylpropane
tert-Butylperoxide
Cadox TBP
Kayabutyl D
Perbutyl D
Interox DTB
Bis(tert-butyl) peroxide
Di-tert-butylperoxid
Peroxyde de butyle tertiaire
Di-tert-butyl peroxyde
Di-tert-Butyl hydroperoxide
di-tert-butylperoxide
Perossido di butile terziario
NSC 673
2-tert-butylperoxy-2-methylpropane
Bis(1,1-dimethylethyl) peroxide
Di-tertiary-butyl peroxide
M7ZJ88F4R1
DTXSID2024955
NSC-673
(Tributyl)peroxide
DTXCID704955
Bis(t-butyl)peroxide
2,2'-dioxybis(2-methylpropane)
T-butyl-peroxide
CAS-110-05-4
di-t butyl peroxide
Di-tert-butylperoxid [German]
CCRIS 4613
di(t-butyl) peroxide
Di-tert-butyl peroxyde [Dutch]
HSDB 1326
EINECS 203-733-6
Peroxyde de butyle tertiaire [French]
BIS(1,1-DIMETHYLETHYL)PEROXIDE
Perossido di butile terziario [Italian]
UNII-M7ZJ88F4R1
t-butylperoxide
tBuOOtBu
Di-t-butylperoxide
di-tertbutylperoxide
ditert.butylperoxide
2-tert-butylperoxy-2-methyl-propane
MFCD00008803
di-tertbutyl peroxide
ditert-butyl peroxide
di-tert.butyl peroxide
di-tertiarybutylperoxide
ditertiary butylperoxide
ditertiarybutyl peroxide
Peroxide, tert-butyl-
di(tert.-butyl)peroxide
di(tert.butyl) peroxide
di-tert.-butyl peroxide
di-tertiary butylperoxide
ditertiary butyl peroxide
(tert-C4H9O)2
di-tertiary butyl peroxide
DTBP [MI]
Peroxide, bis-tert-butyl-
EC 203-733-6
SCHEMBL14861
NSC673
CHEMBL1558599
(CH3)3CO-OC(CH3)3
2-tert-butyldioxy-2-methylpropane
Tox21_201461
Tox21_300099
AKOS015902599
2-(tert-Butylperoxy)-2-methylpropane #
NCGC00091801-01
NCGC00091801-02
NCGC00091801-03
NCGC00254065-01
NCGC00259012-01
tert-Butyl peroxide (Luperox DI), 97%
Luperox(R) DI, tert-Butyl peroxide, 98%
D3411
NS00006093
BIS(1,1-DIMETHYLETHYL)PEROXIDE [HSDB]
A802134
Q413043
t-butyl peroxide bis(1,1-di-methylethyl)peroxide
J-002365
J-520402
WLN: 1X1 & 1 & OOX1 & 1 & 1
F0001-0215
Microorganism:

Yes

IUPAC name2-tert-butylperoxy-2-methylpropane
SMILESCC(C)(C)OOC(C)(C)C
InchiInChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
FormulaC8H18O2
PubChem ID8033
Molweight146.23
LogP2.1
Atoms10
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationperoxides

mVOC Specific Details

Boiling Point
DegreeReference
111 °C peer reviewed
Volatilization
The Henry's Law constant for bis(1,1-dimethylethyl)peroxide is estimated as 0.0483 atm-cu m/mole(SRC) derived from its vapor pressure, 25.1 mm Hg(1), and water solubility, 100 mg/L(2). This Henry's Law constant indicates that bis(1,1-dimethylethyl)peroxide is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). The potential for volatilization of bis(1,1-dimethylethyl)peroxide from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of bis(1,1-dimethylethyl)peroxide can be estimated to be 620(SRC). According to a classification scheme(2), this estimated Koc value suggests that bis(1,1-dimethylethyl)peroxide is expected to have moderate mobility in soil.
Vapor Pressure
PressureReference
22.305
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


(10-ethoxy-1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-5-yl)methyl Acetate

Compound Details

Synonymous names
14-Acetoxy-arteether
IFDUMZOXCOOWBU-UHFFFAOYSA-N
Microorganism:

No

IUPAC name(10-ethoxy-1,9-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-5-yl)methyl acetate
SMILESCCOC1C(C2CCC(C3C24C(O1)OC(CC3)(OO4)C)COC(=O)C)C
InchiInChI=1S/C19H30O7/c1-5-21-16-11(2)14-7-6-13(10-22-12(3)20)15-8-9-18(4)24-17(23-16)19(14,15)26-25-18/h11,13-17H,5-10H2,1-4H3
FormulaC19H30O7
PubChem ID538360
Molweight370.4
LogP2.6
Atoms26
Bonds5
H-bond Acceptor7
H-bond Donor0
Chemical Classificationesters ethers heterocyclic compounds peroxides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


1,4-dibenzyl-2,3,5-trioxabicyclo[2.1.0]pentane

Compound Details

Synonymous names
1,4-Bis(phenylmethyl)-2,3,5-trioxabicyclo[2.1.0]pentane
56247-48-4
MDKIRZSZSNPZDX-UHFFFAOYSA-N
2,3,5-Trioxabicyclo[2.1.0]pentane, 1,4-bis(phenylmethyl)-
DB-311508
1,4-Dibenzyl-2,3,5-trioxabicyclo[2.1.0]pentane #
Microorganism:

Yes

IUPAC name1,4-dibenzyl-2,3,5-trioxabicyclo[2.1.0]pentane
SMILESC1=CC=C(C=C1)CC23C(O2)(OO3)CC4=CC=CC=C4
InchiInChI=1S/C16H14O3/c1-3-7-13(8-4-1)11-15-16(17-15,19-18-15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
FormulaC16H14O3
PubChem ID561238
Molweight254.28
LogP3.4
Atoms19
Bonds4
H-bond Acceptor3
H-bond Donor0
Chemical Classificationepoxides ethers heterocyclic compounds peroxides
Supernatural-IDSN0222617

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno