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| CAS No.: | 2197-63-9 |
|---|---|
| Name: | DICETYL PHOSPHATE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C32H67O4P |
| Molecular Weight: | 546.855 |
| Synonyms: | 1-Hexadecanol,hydrogen phosphate (8CI,9CI);Bis(hexadecyl) phosphate;DAP 60H;Di(hexadecyl)monohydrogen phosphate;Di-n-hexadecyl phosphate;Dicetyl hydrogen phosphate;Dicetyl phosphate;Dihexadecyl hydrogen phosphate;Dihexadecyl phosphate;NSC12429;Phosphoric acid dihexadecyl ester; |
| EINECS: | 218-594-7 |
| Density: | 0.925 g/cm3 |
| Melting Point: | 74-75 °C(lit.) |
| Boiling Point: | 600.4 °C at 760 mmHg |
| Flash Point: | 316.9 °C |
| PSA: | 65.57000 |
| LogP: | 12.08260 |
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- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 36653-82-4
1-Hexadecanol
- 2197-63-9
dihexadecyl hydrogen phosphate
| Conditions | Yield |
|---|---|
| With trichlorophosphate at 80℃; | 11% |
| With trichlorophosphate In benzene Heating; | |
| With phosphorus pentoxide at 80℃; for 24h; | |
| With trichlorophosphate |
- 67-66-3
chloroform
- 36653-82-4
1-Hexadecanol
- 4697-37-4
ethyl metaphosphate
A
- 1623-14-9
ethyl phosphate
B
- 598-02-7
Diethyl phosphate
C
- 3539-43-3
hexadecyl dihydrogen phosphate
D
- 2197-63-9
dihexadecyl hydrogen phosphate
| Conditions | Yield |
|---|---|
| Produkt 5: Aethylcetylaether (?); Produkt 6: Dicetylaether (?); |
| Conditions | Yield |
|---|---|
| With chloroform |
- 36653-82-4
1-Hexadecanol
- 770-12-7
O-phenyl phosphorodichloridate
- 2197-63-9
dihexadecyl hydrogen phosphate
| Conditions | Yield |
|---|---|
| With pyridine und Hydrieren des Reaktionsprodukts an Platin in Essigsaeure; |
- 37032-33-0
bis(hexadecyl) phosphonate
- 19047-85-9
dioctadecyl hydrogen phosphonate
- 1178568-77-8
ethyl hexadecyl phosphite
- 99051-53-3
ethyl octadecyl phosphite
- 374074-72-3
hexadecyl octadecyl phosphite
A
- 2197-63-9
dihexadecyl hydrogen phosphate
B
- 3037-89-6
di-n-octadecyl phosphate
C
- 29690-03-7
phosphoric acid ethyl ester hexadecyl ester
D
- 53852-24-7
ethyl octadecyl phosphate
E
- 93803-11-3
hexadecyl octadecyl phosphate
| Conditions | Yield |
|---|---|
| Stage #1: bis(hexadecyl) phosphonate; dioctadecyl hydrogen phosphonate; ethyl hexadecyl phosphite; ethyl octadecyl phosphite; hexadecyl octadecyl phosphite With sodium hypochlorite; sodium hydroxide at 35 - 60℃; pH=9 - 11.5; Stage #2: With sulfuric acid pH=2; |
- 2197-63-9
dihexadecyl hydrogen phosphate
- 627466-64-2
2,3,4,6-tetra-O-benzoyl-D-glucopyranose
| Conditions | Yield |
|---|---|
| Stage #1: 2,3,4,6-tetra-O-benzoyl-D-glucopyranose With Dibenzothiophene sulfoxide; 2,4,6-tri-tertbutylpyridine; trifluoromethylsulfonic anhydride In dichloromethane at -45℃; for 1h; Substitution; Stage #2: dihexadecyl hydrogen phosphate In dichloromethane at -45 - 23℃; Substitution; Further stages.; | 90% |
- 2197-63-9
dihexadecyl hydrogen phosphate
- 730978-99-1
dicetylphosphate anhydride
| Conditions | Yield |
|---|---|
| With pyridine at 20℃; for 3h; Inert atmosphere; | 90% |
| With Triphenylsilyl chloride |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In dichloromethane at 25℃; for 16h; | 77% |
- 2197-63-9
dihexadecyl hydrogen phosphate
- 627466-84-6
2,3,4,6-tetra-O-benzoyl-D-galactose
| Conditions | Yield |
|---|---|
| Stage #1: 2,3,4,6-tetra-O-benzoyl-D-galactose With Dibenzothiophene sulfoxide; 2,4,6-tri-tertbutylpyridine; trifluoromethylsulfonic anhydride In dichloromethane at -45℃; for 1h; Substitution; Stage #2: dihexadecyl hydrogen phosphate In dichloromethane at -45 - 23℃; Substitution; Further stages.; | 61% |
- 186581-53-3, 908094-01-9
diazomethane
- 2197-63-9
dihexadecyl hydrogen phosphate
| Conditions | Yield |
|---|---|
| In diethyl ether; chloroform at 0 - 20℃; |
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Specification
The 1-Hexadecanol,1,1'-(hydrogen phosphate), with CAS registry number 2197-63-9, has the systematic name of dihexadecyl hydrogen phosphate. Besides this, it is also called Dicetyl phosphate. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C32H67O4P. What's more, this chemical should be stored at the temperature of −20°C.
Physical properties of 1-Hexadecanol,1,1'-(hydrogen phosphate): (1)ACD/LogP: 14.95; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.57; (4)ACD/LogD (pH 7.4): 11.46; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1349570.63; (8)ACD/KOC (pH 7.4): 1032270.38; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 32; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 162.19 cm3; (15)Molar Volume: 591.1 cm3; (16)Polarizability: 64.3×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.925 g/cm3; (19)Flash Point: 316.9 °C; (20)Enthalpy of Vaporization: 97.59 kJ/mol; (21)Boiling Point: 600.4 °C at 760 mmHg; (22)Vapour Pressure: 5.8E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCC)O
(2)InChI: InChI=1/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)
(3)InChIKey: RNPXCFINMKSQPQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)
(5)Std. InChIKey: RNPXCFINMKSQPQ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 373, 1954. |