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2,5-Dimethyl-2,5-Di(Tert-Butylperoxy)Hexane
CAS: 78-63-7 | C16H34O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-63-7
Molecular Formula:
C16H34O4
Molecular Weight:
290.444 g/mol
Names and Synonyms:
2,5-Dimethyl-2,5-Di(Tert-Butylperoxy)Hexane
Kayahexa AD 40
Trigonox 101SC15
101C8BS
Kayahexa APO 10DL
101SC8B
Enox 101-20PP
DHBP 45
Luperox 101SIL45
Luperox 101PP10
Perhexa 25B36
101XL45SP2
Luperox 101XL45SP2
2,5-Dimethyl-2,5-bis(1,1-dimethylethylperoxy)hexane
Trigonox 101IP
TX 101
Colink 101-45GE
Luperox L 101
LS 5
Trigonox 101-20PP
101XL45
Trigonox 101E50
C 4
DDPH 50
101-50D
EX 131
Peroxide L 101
T 101
2,5-Dimethyl-2,5-bis(tert-butylperoxide)hexane
Kayahekisa AD
Luperox 101-50D
101-45S
Trigonox 101-45S-PS
WLZ 3
DBPMH
Trigonox 101-40MB
DHBP
DBPH
Peroxan HX
LS 4
HC 8
BPDH
Kayahexa 4D
DBPH 50
Varox DBPH 50EZD
Trigonox 101-45B-PD
Dual 25
Perhexa 25B10
APO 10DL
DBPH 50HP
DHBP 45ICI
Trigonox 101-40B
Varox DBPH 50HP
DBPH-PAR 100
DHBP 50WO
APO 40S
Varox DBPH
Link-Cup DBPH
Trigonox 101-40D
APO
Sanperox APO
Yinox 101
NSC 38203
2,5-Dimethylhexane-2,5-di-tert-butylperoxide
Trigonox 101-50
RC 450P
LX 101
Luperox 101XL45
2,5-Methyl-2,5-di(tert-butylperoxy)hexane
L 101
25B40
Luperox 101XL
101XL
Lupersol L 101
Trigonox 101E10
C 15 (peroxide)
RC 8
C 15
C 8A
C 8 (vulcanizer)
C 8
Trigonox 101-40MD-GR
2,5-Dimethyl-di(tert-butyl)peroxyhexane
Trigonox 101E5
RPZ 101
AD
HC 4
HC 4 (peroxide)
CT 8
CT 8 (crosslinking agent)
Luperco 101X45
Varox DBPH 50
Varox Liquid
CR 05
TC 8
TC 8 (catalyst)
Interox DHBP
RC 4
RC 4 (peroxide)
AD 40C
2,5-Dimethyl-2,5-di(t-butylperoxy)hexane
Perhexa 2.5B
Interox DHBP 45IC/G
Perhexa 2.5B40
Lupersol 101XL
Trigonox 101
Perhexa 25B40
Perhexa 25B
Kayahexa AD 40C
Kayahexa AD
2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane
2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide
2,5-Di(tert-butylperoxy)-2,5-dimethylhexane
Luperco 101XL
2,5-Di(t-butylperoxy)-2,5-dimethylhexane
2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane
2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane
(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)
Varox 50
2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane
Trigonox XQ 8
Varox
Lupersol 101
Luperox 101
2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane
1,1′-(1,1,4,4-Tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl) peroxide]
Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl)
Peroxide, (1,1,4,4-tetramethyltetramethylene)bis[tert-butyl
Peroxide, 1,1′-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl)
Identifiers:
SMILES:
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
InChI:
InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 290.245709568 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 36.92 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.817200000000005 | RDKit |
| molecular_mass | 290.44 g/mol | Legacy Database |
| density | 0.87 g/cm³ | Legacy Database |
| cas-boiling-point | 50-52 °C @ Press: 0.1 Torr None | Legacy Database |
| cas-canonical-smile | O(OC(C)(C)CCC(OOC(C)(C)C)(C)C)C(C)(C)C None | Legacy Database |
| cas-density | 0.8728 g/cm3 @ Temp: 28 °C None | Legacy Database |
| cas-inchi | InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DMWVYCCGCQPJEA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 5 °C None | Legacy Database |
| cas-name | 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 81.23800000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 290.444 g/mol | RDKit |
