Dicetyl phosphate
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Dicetyl phosphate
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CAS No:
2197-63-9
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Formula:
C32H67O4P
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Chemical Name:
Dicetyl phosphate
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Synonyms:
1-Hexadecanol,1,1′-(hydrogen phosphate);1-Hexadecanol,hydrogen phosphate;Dicetyl phosphate;Dicetyl hydrogen phosphate;Dihexadecyl hydrogen phosphate;Dihexadecyl phosphate;Bis(hexadecyl) phosphate;Di(hexadecyl) monohydrogen phosphate;Di-n-hexadecyl phosphate;Phosphoric acid dihexadecyl ester;DAP 60H;NSC 12429;Crodafos CS 20A;CS 20A
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CAS No:
Description
ChEBI: The dihexadecyl ester of phosphoric acid.
Dicetyl hydrogen phosphate is the dihexadecyl ester of phosphoric acid.
Dicetyl phosphate Basic Attributes
546.85
546.85
218-594-7
2V6E5WN99N
12429
DTXSID7062243
2919900090
Characteristics
55.8
14.5
0.9±0.1 g/cm3
68-70 °C
600.4ºC at 760 mmHg
316.9±26.8 °C
1.461
−20°C
5.8E-09mmHg at 25°C
Safety Information
NONH for all modes of transport
3
MM0225450
P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P362
H315
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362|Aggregated GHS information provided by 70 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Dicetyl phosphate Use and Manufacturing
Production Synthesis of Dicetylphosphate; To a mixture of cetyl alcohol (19.50 g, 80.4 mmol) and benzene (100 ml), phosphorus oxychloride (2.5 ml, 26.8 mmol) was added dropwise at 80° C. (solvent reflux temperature) and further stirred for 12 hours. The solvent of the reaction solution was evaporated under a reduced pressure. To the obtained residue, benzene (50 ml) was added and cooled overnight. The precipitate generated was filtrated to obtain the titled compound (white powder, 1.64 g, 3.0 mmol, yield: 11percent).
Anionic detergent
1-Hexadecanol, 1,1'-(hydrogen phosphate): ACTIVE
Cosmetics -> Emulsifying
Computed Properties
Molecular Weight:546.8
XLogP3:14.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:32
Exact Mass:546.47769761
Monoisotopic Mass:546.47769761
Topological Polar Surface Area:55.8
Heavy Atom Count:37
Complexity:434
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
emulsifying agent; surfactant
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