Product Name

  • Name

    1-DECYLPHOSPHONIC ACID

  • EINECS 229-975-2
  • CAS No. 6874-60-8
  • Article Data11
  • CAS DataBase
  • Density 1.044 g/cm3
  • Solubility
  • Melting Point 100-101 °C
  • Formula C10H23O3P
  • Boiling Point 355.8 °C at 760 mmHg
  • Molecular Weight 222.265
  • Flash Point 169 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 6874-60-8 (1-DECYLPHOSPHONIC ACID)
  • Hazard Symbols R34:Causes burns.;
  • Synonyms Phosphonic acid,decyl- (6CI,7CI,8CI,9CI);1-Decanephosphonic acid;Decanephosphonic acid;Decylphosphonic acid;NSC 407850;n-Decylphosphonic acid;
  • PSA 67.34000
  • LogP 3.30480

Synthetic route

diethyl 1-decylphosphonate
16165-68-7

diethyl 1-decylphosphonate

1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

Conditions
ConditionsYield
With water at 400℃; under 232523 Torr; for 0.0333333h; Supercritical conditions; Autoclave;98%
Stage #1: diethyl n-decylphosphonate With boron tribromide In hexane; toluene at 70℃; for 6h;
Stage #2: With methanol In hexane; toluene at 20℃;		82%
With hydrogenchloride Heating;
1-bromo dodecane
112-29-8

1-bromo dodecane

1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

Conditions
ConditionsYield
Stage #1: 1-bromo dodecane With potassium hydroxide semihydrate; phosphorus; cetyltrimethylammonim bromide In water; toluene at 85 - 90℃; for 6h; Inert atmosphere;
Stage #2: With nitric acid In water at 100 - 110℃; for 2h; pH=4; Inert atmosphere;		65%
Multi-step reaction with 2 steps
2: 6 N HCl / Heating
View Scheme
Multi-step reaction with 2 steps
1: hexane
2: concentrated aqueous HCl
View Scheme
n-decylphosphonous acid
4741-18-8

n-decylphosphonous acid

hypophosphorous acid
14332-09-3

hypophosphorous acid

1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

Conditions
ConditionsYield
With sodium hydroxide; potassium permanganate; sodium hydrogensulfite In water; acetone49%
decyl-phosphonic acid dibutyl ester
36378-71-9

decyl-phosphonic acid dibutyl ester

1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

Conditions
ConditionsYield
With hydrogenchloride
1-Decene
872-05-9

1-Decene

1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

Conditions
ConditionsYield
With phosphonic Acid; dibenzoyl peroxide
1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

α-Na10[SiW9O34]

α-Na10[SiW9O34]

tetramethylammonium bromide
64-20-0

tetramethylammonium bromide

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

(tetramethylammonium)2,5Na3,5[SiW9O34(OPC10H21)2] dimethylformamide solvate

(tetramethylammonium)2,5Na3,5[SiW9O34(OPC10H21)2] dimethylformamide solvate

Conditions
ConditionsYield
With hydrogenchloride at 100℃;78%
...Expand
K8[γ-SiW10O36]*12H2O

K8[γ-SiW10O36]*12H2O

1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

tetramethylammonium bromide
64-20-0

tetramethylammonium bromide

γ-(tetramethylammonium)3K[SiW10O36(OPC10H21)2]

γ-(tetramethylammonium)3K[SiW10O36(OPC10H21)2]

Conditions
ConditionsYield
With hydrogenchloride In acetonitrile Reflux;66%
...Expand
1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

α-Na10[SiW9O34]

α-Na10[SiW9O34]

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

Na6[SiW9O34(OPC10H21)2] dimethylformamide solvate

Na6[SiW9O34(OPC10H21)2] dimethylformamide solvate

Conditions
ConditionsYield
With hydrogenchloride at 100℃;30%
...Expand
1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

n-decylphosphonic acid dichloride
14576-66-0

n-decylphosphonic acid dichloride

Conditions
ConditionsYield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 1h;
1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

ammonium 1-decylphosphonate
1353567-51-7

ammonium 1-decylphosphonate

Conditions
ConditionsYield
With ammonia In water
1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

GENERIC INORGANIC CATION; decane-1-phosphonate

GENERIC INORGANIC CATION; decane-1-phosphonate

Conditions
ConditionsYield
With calcium chloride In water
1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

ethylenediamine
107-15-3

ethylenediamine

ethylenediaminium 1-decylphosphonate
1353567-52-8

ethylenediaminium 1-decylphosphonate

Conditions
ConditionsYield
In water
1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

water
7732-18-5

water

copper diacetate
142-71-2

copper diacetate

Cu(2+)*CH3(CH2)9PO3(2-)*H2O=Cu(CH3(CH2)9PO3)*H2O

Cu(2+)*CH3(CH2)9PO3(2-)*H2O=Cu(CH3(CH2)9PO3)*H2O

Conditions
ConditionsYield
In ethanol; water aq. soln. of CuCl2 added dropwise to soln. of acid in H2O/EtOH (3/1, v/v) (1:1 molar ratio), mixt. stirred overnight at 70°C; filtered off, washed (H2O, EtOH), dried at room temp.;
...Expand
1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

copper diacetate
142-71-2

copper diacetate

Cu(2+)*CH3(CH2)9PO3(2-)=Cu(CH3(CH2)9PO3)

Cu(2+)*CH3(CH2)9PO3(2-)=Cu(CH3(CH2)9PO3)

Conditions
ConditionsYield
In water High Pressure; acid mixed with aq. soln. of CuCl2 (3.5:3.7 molar ratio), sealed, heatedat 160°C for 24 h; cooled to room temp. in 24 h, filtered off, washed (H2O, EtOH), dried atroom temp.;
zirconyl propionate

zirconyl propionate

1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

phosphoric acid
86119-84-8, 7664-38-2

phosphoric acid

Zr(O3POH)1.66(hexylphosphonate)0.34*(x)H2O

Zr(O3POH)1.66(hexylphosphonate)0.34*(x)H2O

Conditions
ConditionsYield
Stage #1: zirconyl propionate; phosphoric acid In propan-1-ol at 20℃;
Stage #2: 1-decylphosphonic acid In propan-1-ol at 20℃; for 72h;
...Expand
zirconyl propionate

zirconyl propionate

1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

phosphoric acid
86119-84-8, 7664-38-2

phosphoric acid

Zr(O3POH)1.52(hexylphosphonate)0.48*(x)H2O

Zr(O3POH)1.52(hexylphosphonate)0.48*(x)H2O

Conditions
ConditionsYield
Stage #1: zirconyl propionate; phosphoric acid In propan-1-ol at 20℃;
Stage #2: 1-decylphosphonic acid In propan-1-ol at 20℃; for 72h;
...Expand
zirconyl propionate

zirconyl propionate

1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

phosphoric acid
86119-84-8, 7664-38-2

phosphoric acid

Zr(O3POH)1.04(hexylphosphonate)0.96*(x)H2O

Zr(O3POH)1.04(hexylphosphonate)0.96*(x)H2O

Conditions
ConditionsYield
Stage #1: zirconyl propionate; phosphoric acid In propan-1-ol at 20℃;
Stage #2: 1-decylphosphonic acid In propan-1-ol at 20℃; for 72h;
...Expand
zirconyl propionate

zirconyl propionate

1-decylphosphonic acid
6874-60-8

1-decylphosphonic acid

phosphoric acid
86119-84-8, 7664-38-2

phosphoric acid

Zr(O3POH)0.99(hexylphosphonate)1.01*(x)H2O

Zr(O3POH)0.99(hexylphosphonate)1.01*(x)H2O

Conditions
ConditionsYield
Stage #1: zirconyl propionate; phosphoric acid In propan-1-ol at 20℃;
Stage #2: 1-decylphosphonic acid In propan-1-ol at 20℃; for 72h;
...Expand

1-Decanephosphonic acid Specification

The 1-Decanephosphonic acid, with the CAS registry number 6874-60-8, is also known as 1-Decanephosphonic acid. Its EINECS number is 229-975-2. This chemical's molecular formula is C10H23O3P and molecular weight is 222.26. What's more, its systematic name is Decylphosphonic acid.

Physical properties of 1-Decanephosphonic acid are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 45.34 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 58.32 cm3; (15)Molar Volume: 212.7 cm3; (16)Polarizability: 23.12×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.044 g/cm3; (19)Flash Point: 169 °C; (20)Enthalpy of Vaporization: 66.02 kJ/mol; (21)Boiling Point: 355.8 °C at 760 mmHg; (22)Vapour Pressure: 5.07E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by decyl-phosphonic acid diethyl ester with heating. This reaction will need reagent 6 M HCl.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCP(=O)(O)O
(2)InChI: InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)
(3)InChIKey: DZQISOJKASMITI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 9, Pg. 131, 1957.

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