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Molecule
ID:53538
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₈H₃₉O₄P
Molecular Mass
350.473621
Exact Mass
350.25859636
Charge
0
InChI
InChI=1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey
SFENPMLASUEABX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOP(=O)(OCCCCCC)OCCCCCC
Isomeric Smiles
P(=O)(OCCCCCC)(OCCCCCC)OCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.7528872
LogD (pH = 7.4)
6.7528872
Log P
6.7528872
Molar Refractivity
97.3256
Polarizability
39.238213
Polar Surface Area
44.76
Rotatable Bonds
18
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
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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
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RDKit
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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
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IUPAC name
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Synonyms
Registration numbers
Properties
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Safety Information
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Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
PubChem
75666
Commercial Catalog
Matrix Scientific
058364
Alfa Aesar
16801
Names and Identifiers
IUPAC Traditional name
trihexyl phosphate
IUPAC name
trihexyl phosphate
Synonyms
Trihexyl phosphate
Tri-n-hexyl phosphate
磷酸三正己酯, 90+%最低
Registration numbers
MDL Number
MFCD00015351
CAS Number
2528-39-4
EC Number
219-774-8
PubChem SID
162058301
PubChem CID
75666
Properties
Safety Information
Storage Warning
IRRITANT
Source
TSCA Listed
false
Source
是
Source
MSDS Link
Download link
Source
Safety Statements
26
-
37
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
GHS Hazard statements
H315
-
H319
-
H335
Source
European Hazard Symbols
Irritant (Xi)
Source
GHS Precautionary statements
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
Risk Statements
36/37/38
Source
Product Information
Purity
90+%
Source
Physical Property
Apperance
Liquid
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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MDL Number
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CAS Number
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EC Number
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PubChem SID
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PubChem CID