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Molecule
ID:107023
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₆H₃₅O₃P
Molecular Mass
306.421061
Exact Mass
306.23238161
Charge
0
InChI
InChI=1S/C16H35O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16,20H,5-14H2,1-4H3
InChIKey
HZIUHEQKVCPTAJ-UHFFFAOYSA-N
Canonic Smiles
CCCCC(COP(=O)OCC(CCCC)CC)CC
Isomeric Smiles
CCCCC(CC)COP(=O)OCC(CC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.6042
LogD (pH = 7.4)
5.6042
Log P
5.6042
Molar Refractivity
85.8331
Polarizability
34.858356
Polar Surface Area
35.53
Rotatable Bonds
14
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
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Academic Data
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Commercial Catalog
Names and Identifiers
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IUPAC Traditional name
•
Synonyms
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IUPAC name
Registration numbers
Properties
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Product Information
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Safety Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
PubChem
6327514
Commercial Catalog
Sigma Aldrich
248959
MP Biomedicals
05202262
Names and Identifiers
IUPAC Traditional name
bis(2-ethylhexyl) phosphonate
Synonyms
bis(2-ETHYLHEXYL)HYDROGEN PHOSPHITE
Bis(2-ethylhexyl) phosphite
双(2-乙基己基)亚磷酸酯
IUPAC name
bis(2-ethylhexyl) phosphonate
Registration numbers
EC Number
222-904-6
CAS Number
3658-48-8
PubChem SID
24854964
162093149
MDL Number
MFCD00009490
PubChem CID
6327514
Properties
Product Information
Certificate of Analysis
Download link
Source
Linear Formula
[CH3(CH2)3CH(C2H5)CH2O]2P(O)H
Source
Purity
96%
Source
Safety Information
RTECS
SZ6840000
Source
MSDS Link
Download link
Source
Download link
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
European Hazard Symbols
Irritant (Xi)
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
Safety Statements
26
-
37/39
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
Risk Statements
36/37/38
Source
GHS Signal Word
Warning
Source
German water hazard class
2
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Physical Property
Density
0.916 g/ml
Source
0.916 g/mL at 25 °C(lit.)
Source
Refractive Index
n20/D 1.442(lit.)
Source
Flash Point
113 °C
Source
235.4 °F
Source
Molecule Details
Sigma Aldrich
248959
Packaging
100 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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EC Number
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CAS Number
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PubChem SID
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MDL Number
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PubChem CID