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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 Mass:
290.44 g/mol
Names and Synonyms:
2,5-Dimethyl-2,5-Di(Tert-Butylperoxy)Hexane
Peroxide, 1,1′-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl)
Peroxide, (1,1,4,4-tetramethyltetramethylene)bis[tert-butyl
Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl)
1,1′-(1,1,4,4-Tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl) peroxide]
2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane
Luperox 101
Lupersol 101
Varox
Trigonox XQ 8
2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane
Varox 50
(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)
2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane
2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane
2,5-Di(t-butylperoxy)-2,5-dimethylhexane
Luperco 101XL
2,5-Di(tert-butylperoxy)-2,5-dimethylhexane
2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide
2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane
Kayahexa AD
Kayahexa AD 40C
Perhexa 25B
Perhexa 25B40
Trigonox 101
Lupersol 101XL
Perhexa 2.5B40
Interox DHBP 45IC/G
Perhexa 2.5B
Kayahexa AD 40
2,5-Dimethyl-2,5-di(t-butylperoxy)hexane
AD 40C
RC 4 (peroxide)
RC 4
Interox DHBP
TC 8 (catalyst)
TC 8
CR 05
Varox Liquid
Varox DBPH 50
Luperco 101X45
CT 8 (crosslinking agent)
CT 8
HC 4 (peroxide)
HC 4
AD
RPZ 101
Trigonox 101E5
2,5-Dimethyl-di(tert-butyl)peroxyhexane
Trigonox 101-40MD-GR
C 8
C 8 (vulcanizer)
C 8A
C 15
RC 8
C 15 (peroxide)
Trigonox 101E10
Lupersol L 101
101XL
Luperox 101XL
25B40
L 101
2,5-Methyl-2,5-di(tert-butylperoxy)hexane
Luperox 101XL45
LX 101
RC 450P
Trigonox 101-50
2,5-Dimethylhexane-2,5-di-tert-butylperoxide
NSC 38203
Yinox 101
Sanperox APO
APO
Trigonox 101-40D
Link-Cup DBPH
Varox DBPH
APO 40S
DHBP 50WO
DBPH-PAR 100
Varox DBPH 50HP
Trigonox 101-40B
DHBP 45ICI
DBPH 50HP
APO 10DL
Perhexa 25B10
Dual 25
Trigonox 101-45B-PD
Varox DBPH 50EZD
DBPH 50
Kayahexa 4D
BPDH
HC 8
LS 4
Peroxan HX
DBPH
DHBP
Trigonox 101-40MB
DBPMH
WLZ 3
Trigonox 101-45S-PS
101-45S
Luperox 101-50D
Kayahekisa AD
2,5-Dimethyl-2,5-bis(tert-butylperoxide)hexane
T 101
Peroxide L 101
EX 131
101-50D
DDPH 50
C 4
Trigonox 101E50
101XL45
Trigonox 101-20PP
LS 5
Luperox L 101
Colink 101-45GE
TX 101
Trigonox 101IP
2,5-Dimethyl-2,5-bis(1,1-dimethylethylperoxy)hexane
Luperox 101XL45SP2
101XL45SP2
Perhexa 25B36
Luperox 101PP10
Luperox 101SIL45
DHBP 45
Enox 101-20PP
101SC8B
Kayahexa APO 10DL
101C8BS
Trigonox 101SC15
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
Key Properties
Boiling Point
50-52 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
5 °C
CAS Common Chemistry
Density
0.87 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 290.44 g/mol | CAS Common Chemistry |
| 290.444 g/mol | RDKit | |
| 290.245709568 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8728 g/cm3 @ Temp: 28 °C | CAS Common Chemistry | |
| Boiling Point | 50-52 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | O(OC(C)(C)CCC(OOC(C)(C)C)(C)C)C(C)(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=DMWVYCCGCQPJEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5 °C | CAS Common Chemistry |
| Name | 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 4.817200000000005 | RDKit |
| Molar Refractivity | 81.23800000000007 | RDKit |
