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Tris(2,4-Di-Tert-Butylphenyl) Phosphite
CAS: 31570-04-4 | C42H63O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
31570-04-4
Molecular Formula:
C42H63O3P
Molecular Weight:
646.9370000000001 g/mol
Names and Synonyms:
Tris(2,4-Di-Tert-Butylphenyl) Phosphite
Richfos 168
Tri(2,4-di-tert-butylphenyl) phosphite
A 0168
Everfos 168GF
AO 2112
Sabostab PS 68
PS 68
PS 68 (stabilizer)
I 168
Antioxidant TBP
Antioxidant 176
Kinox 68G
Rianox 168
IR 168
TH 168
Irgafox 168
IG 168
Thanox 168
Sonox 168
Antioxidant 1680
Antioxidant 2112
Tris(2,4-di-tert-butylphenyl) phosphite
Tri(2,4-tert-butylphenyl) phosphite
Alkanox P 240
JY 168
PW 225
KY 168
Everfos 168
Pronox S
AO 200
B 168
Tri(2,4-di-t-butylphenyl) phosphite
ADK Stab AS 2112
Tris(2,4-di-t-butylphenyl)phosphite
Antioxidant 240
Songnox 1680
AT 168
Songnox 1200
Irgafos 168FF
Tris(2,4-di-tert-butylphenoxy)phosphine
2,4-Bis(1,1-dimethylethyl)phenol phosphite (3:1)
Irgafos F
AS 2112
ADK Stab 2112RG
Tris(2,4-tert-butylphenyl) phosphite
Antioxidant 168
ADK 2112
Hostanox PAR 24
Chinox 168
RA 168 (antioxidant)
RA 168
JP 650
P 48 (stabilizer)
P 48
A 2112
Cyanox 2704
Ultranox 668
PL 10 (stabilizer)
PL 10
P 16
Doverphos S 480
Tomiphos 202
B 311
ADK Stab 2112
PKY 168
AO 2
Phos 6
Mark 2112E
Tris(2,4-di-tert-butylphenyl) phosphite
Sumilizer P 16
Naugard 524
Alkanox 240
Mark 2112
Hostanox VP-PAR 24
Phosphite 168
Irganox 168
Irgafos 168
Hostanox TM-PAR 24
Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:1)
Phenol, 2,4-di-tert-butyl-, phosphite (3:1)
Phenol, 2,4-bis(1,1-dimethylethyl)-, 1,1′,1′′-phosphite
Heat Stabilizer 168
Tris [2,4-di-tert-butylphenyl] phosphite
D 168
SN 168
ZY 168
SN 1680
AO 168
Quent 68
Songnox 1680PX
Chemnox 168
Tris(2,4-di-tert-butyphenyl) phosphite
Finox 168
Irgafos P 168
IRG 168
Identifiers:
SMILES:
CC(C)(C)c1ccc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChI:
InChI=1S/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 646.94 g/mol | Legacy Database |
| cas-canonical-smile | O(C1=CC=C(C=C1C(C)(C)C)C(C)(C)C)P(OC2=CC=C(C=C2C(C)(C)C)C(C)(C)C)OC3=CC=C(C=C3C(C)(C)C)C(C)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JKIJEFPNVSHHEI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 182-186 °C None | Legacy Database |
| cas-name | Tris(2,4-di-tert-butylphenyl) phosphite None | Legacy Database |
| LogP | 13.235299999999976 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 646.9370000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 646.4514825059998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 46 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 27.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 200.3299999999992 | RDKit |
