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90-13-1 molecular structure
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tris(8-methylnonyl) phosphite

ChemBase ID: 145303
Molecular Formular: C30H63O3P
Molecular Mass: 502.793181
Monoisotopic Mass: 502.45148251
SMILES and InChIs

SMILES:
CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C
Canonical SMILES:
CC(CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C)C
InChI:
InChI=1S/C30H63O3P/c1-28(2)22-16-10-7-13-19-25-31-34(32-26-20-14-8-11-17-23-29(3)4)33-27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3
InChIKey:
QEDNBHNWMHJNAB-UHFFFAOYSA-N

Cite this record

CBID:145303 http://www.chembase.cn/molecule-145303.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(8-methylnonyl) phosphite
IUPAC Traditional name
tris(8-methylnonyl) phosphite
Synonyms
Triisodecyl phosphite
U - 1-Chloronaphthalene
亚磷酸三异癸酯
1-氯萘
CAS Number
90-13-1
25448-25-3
EC Number
246-998-3
MDL Number
MFCD00015059
PubChem SID
162239510
24867760
PubChem CID
117488

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
442259 external link Add to cart Please log in.
Data Source Data ID
PubChem 117488 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.464099  LogD (pH = 7.4) 11.4641 
Log P 11.4641  Molar Refractivity 152.2583 cm3
Polarizability 60.802593 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds 27  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
166 °C(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.884 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.46(lit.) expand Show data source
RTECS
TH1140000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Linear Formula
(C10H21O)3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 442259 external link
Application
Heat stabilizer for polymers
Packaging
250 mL in poly bottle
Sigma Aldrich - 442259 external link
Application
Heat stabilizer for polymers
Packaging
250 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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