Propyl Oleate, Sulphated
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Product Description
Product
Propyl Oleate, Sulphated
CAS
68954-62-1
Formula
Unspecified
Typical Product Specifications
Molecular weight
303.35
EINECS
200-090-3
SMILES
CN1[C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4
InChI
1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12?,13?,14?,15-,16+
InChIKey
STECJAGHUSJQJN-MBBCWDQXSA-N
Vapor Pressure
7.18E-09 mm Hg
Water solubility
1.00E+05 mg/L
pKa Dissociation Constant
7.75
Atmospheric OH Rate Constant
5.97E-11 cm3/molecule-sec
log P (octanol-water)
0.98
Henry's Law Constant
3.36E-16 atm-m3/mole
Melting Point
59 ° C
Molecular weight
398.29
EINECS
205-844-5
SMILES
[Br-].C[N+]1(C)[C@@H]2CC(C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4
InChI
CXYRUNPLKGGUJF-RAFJPFSSSA-M
InChIKey
1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1
log P (octanol-water)
-2.580
Atmospheric OH Rate Constant
5.50E-11 cm3/molecule-sec
Molecular weight
361.30
EINECS
200-747-4
SMILES
[N+](CCOC(=O)CCC(=O)OCC[N+](C)(C)C)(C)(C)C.[ClH-].[ClH-]
InChI
YOEWQQVKRJEPAE-UHFFFAOYSA-L
InChIKey
1S/C14H30N2O4.2ClH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
Atmospheric OH Rate Constant
3.33E-11 cm3/molecule-sec
log P (octanol-water)
-7.940
Melting Point
190 ° C
Water solubility
5.00E+05 mg/L
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Temperature
Refrigerator
Melting Point
164 °C
Merck
8875
Molecular weight
214.25
EINECS
200-345-9
SMILES
c1cc(ccc1N)S(=O)(=O)NC(=N)N
InChI
1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
InChIKey
BRBKOPJOKNSWSG-UHFFFAOYSA-N
Atmospheric OH Rate Constant
4.40E-11 cm3/molecule-sec
pKa Dissociation Constant
11.25
Vapor Pressure
1.47E-07 mm Hg
Melting Point
191.5 ° C
Water solubility
2200 mg/L
log P (octanol-water)
-1.22E+00
Henry's Law Constant
1.01E-15 atm-m3/mole
Solubility
1 M HCl: soluble50mg/mL
Merck
8908
Stability
Stable. Incompatible with strong oxidizing agents.
Water solubility
1g/1000mL at 25 ºC
Melting Point
190-193°C
Storage Temperature
-20°C
Color
white to off-white
Form
Powder
Molecular weight
280.30
EINECS
201-272-5
SMILES
c1(S(=O)(=O)Nc2ccc(nn2)OC)ccc(cc1)N
InChI
1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
InChIKey
VLYWMPOKSSWJAL-UHFFFAOYSA-N
Henry's Law Constant
2.37E-14 atm-m3/mole
Melting Point
182.5 ° C
Water solubility
147 mg/L
log P (octanol-water)
0.32
Atmospheric OH Rate Constant
2.82E-11 cm3/molecule-sec
pKa Dissociation Constant
6.7
Vapor Pressure
5.65E-10 mm Hg
Storage Temperature
2-8°C
Form
Crystalline Powder
Merck
13,9004
Color
White to yellow
Molecular weight
214.25
EINECS
200-345-9
SMILES
c1cc(ccc1N)S(=O)(=O)NC(=N)N
InChI
1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
InChIKey
BRBKOPJOKNSWSG-UHFFFAOYSA-N
Atmospheric OH Rate Constant
4.40E-11 cm3/molecule-sec
pKa Dissociation Constant
11.25
Vapor Pressure
1.47E-07 mm Hg
Melting Point
191.5 ° C
Water solubility
2200 mg/L
log P (octanol-water)
-1.22E+00
Henry's Law Constant
1.01E-15 atm-m3/mole
Solubility
1 M HCl: soluble50mg/mL
Merck
8908
Stability
Stable. Incompatible with strong oxidizing agents.
Water solubility
1g/1000mL at 25 ºC
Melting Point
190-193°C
Storage Temperature
-20°C
Color
white to off-white
Form
Powder
Molecular weight
267.30
EINECS
204-858-9
SMILES
Cc1c(noc1NS(=O)(=O)c2ccc(cc2)N)C
InChI
1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
InChIKey
NHUHCSRWZMLRLA-UHFFFAOYSA-N
Stability
Stable. Incompatible with strong oxidizin
Water solubility
<0.1 g/100 mL at 22.5 ºC
Merck
13,9041
Melting Point
195°C
Storage Temperature
2-8°C
Melting Point
191 ° C
Vapor Pressure
5.08E-08 mm Hg
log P (octanol-water)
1.01
Water solubility
300 mg/L
Atmospheric OH Rate Constant
3.24E-11 cm3/molecule-sec
Henry's Law Constant
1.06E-12 atm-m3/mole
Solubility
acetone: complete50 mg/ml
Molecular weight
361.30
EINECS
200-747-4
SMILES
[N+](CCOC(=O)CCC(=O)OCC[N+](C)(C)C)(C)(C)C.[ClH-].[ClH-]
InChI
YOEWQQVKRJEPAE-UHFFFAOYSA-L
InChIKey
1S/C14H30N2O4.2ClH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
Atmospheric OH Rate Constant
3.33E-11 cm3/molecule-sec
log P (octanol-water)
-7.940
Melting Point
190 ° C
Water solubility
5.00E+05 mg/L
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Temperature
Refrigerator
Melting Point
164 °C
Merck
8875
Class
Industry
Functions
Propyl Oleate, Sulphated
Product Description
Product
Propyl Oleate, Sulphated
CAS
68954-62-1
Formula
Unspecified
Typical Product Specifications
Molecular weight
303.35
EINECS
200-090-3
SMILES
CN1[C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4
InChI
1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12?,13?,14?,15-,16+
InChIKey
STECJAGHUSJQJN-MBBCWDQXSA-N
Vapor Pressure
7.18E-09 mm Hg
Water solubility
1.00E+05 mg/L
pKa Dissociation Constant
7.75
Atmospheric OH Rate Constant
5.97E-11 cm3/molecule-sec
log P (octanol-water)
0.98
Henry's Law Constant
3.36E-16 atm-m3/mole
Melting Point
59 ° C
Molecular weight
398.29
EINECS
205-844-5
SMILES
[Br-].C[N+]1(C)[C@@H]2CC(C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4
InChI
CXYRUNPLKGGUJF-RAFJPFSSSA-M
InChIKey
1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1
log P (octanol-water)
-2.580
Atmospheric OH Rate Constant
5.50E-11 cm3/molecule-sec
Molecular weight
361.30
EINECS
200-747-4
SMILES
[N+](CCOC(=O)CCC(=O)OCC[N+](C)(C)C)(C)(C)C.[ClH-].[ClH-]
InChI
YOEWQQVKRJEPAE-UHFFFAOYSA-L
InChIKey
1S/C14H30N2O4.2ClH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
Atmospheric OH Rate Constant
3.33E-11 cm3/molecule-sec
log P (octanol-water)
-7.940
Melting Point
190 ° C
Water solubility
5.00E+05 mg/L
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Temperature
Refrigerator
Melting Point
164 °C
Merck
8875
Molecular weight
214.25
EINECS
200-345-9
SMILES
c1cc(ccc1N)S(=O)(=O)NC(=N)N
InChI
1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
InChIKey
BRBKOPJOKNSWSG-UHFFFAOYSA-N
Atmospheric OH Rate Constant
4.40E-11 cm3/molecule-sec
pKa Dissociation Constant
11.25
Vapor Pressure
1.47E-07 mm Hg
Melting Point
191.5 ° C
Water solubility
2200 mg/L
log P (octanol-water)
-1.22E+00
Henry's Law Constant
1.01E-15 atm-m3/mole
Solubility
1 M HCl: soluble50mg/mL
Merck
8908
Stability
Stable. Incompatible with strong oxidizing agents.
Water solubility
1g/1000mL at 25 ºC
Melting Point
190-193°C
Storage Temperature
-20°C
Color
white to off-white
Form
Powder
Molecular weight
280.30
EINECS
201-272-5
SMILES
c1(S(=O)(=O)Nc2ccc(nn2)OC)ccc(cc1)N
InChI
1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
InChIKey
VLYWMPOKSSWJAL-UHFFFAOYSA-N
Henry's Law Constant
2.37E-14 atm-m3/mole
Melting Point
182.5 ° C
Water solubility
147 mg/L
log P (octanol-water)
0.32
Atmospheric OH Rate Constant
2.82E-11 cm3/molecule-sec
pKa Dissociation Constant
6.7
Vapor Pressure
5.65E-10 mm Hg
Storage Temperature
2-8°C
Form
Crystalline Powder
Merck
13,9004
Color
White to yellow
Molecular weight
214.25
EINECS
200-345-9
SMILES
c1cc(ccc1N)S(=O)(=O)NC(=N)N
InChI
1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)
InChIKey
BRBKOPJOKNSWSG-UHFFFAOYSA-N
Atmospheric OH Rate Constant
4.40E-11 cm3/molecule-sec
pKa Dissociation Constant
11.25
Vapor Pressure
1.47E-07 mm Hg
Melting Point
191.5 ° C
Water solubility
2200 mg/L
log P (octanol-water)
-1.22E+00
Henry's Law Constant
1.01E-15 atm-m3/mole
Solubility
1 M HCl: soluble50mg/mL
Merck
8908
Stability
Stable. Incompatible with strong oxidizing agents.
Water solubility
1g/1000mL at 25 ºC
Melting Point
190-193°C
Storage Temperature
-20°C
Color
white to off-white
Form
Powder
Molecular weight
267.30
EINECS
204-858-9
SMILES
Cc1c(noc1NS(=O)(=O)c2ccc(cc2)N)C
InChI
1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
InChIKey
NHUHCSRWZMLRLA-UHFFFAOYSA-N
Stability
Stable. Incompatible with strong oxidizin
Water solubility
<0.1 g/100 mL at 22.5 ºC
Merck
13,9041
Melting Point
195°C
Storage Temperature
2-8°C
Melting Point
191 ° C
Vapor Pressure
5.08E-08 mm Hg
log P (octanol-water)
1.01
Water solubility
300 mg/L
Atmospheric OH Rate Constant
3.24E-11 cm3/molecule-sec
Henry's Law Constant
1.06E-12 atm-m3/mole
Solubility
acetone: complete50 mg/ml
Molecular weight
361.30
EINECS
200-747-4
SMILES
[N+](CCOC(=O)CCC(=O)OCC[N+](C)(C)C)(C)(C)C.[ClH-].[ClH-]
InChI
YOEWQQVKRJEPAE-UHFFFAOYSA-L
InChIKey
1S/C14H30N2O4.2ClH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
Atmospheric OH Rate Constant
3.33E-11 cm3/molecule-sec
log P (octanol-water)
-7.940
Melting Point
190 ° C
Water solubility
5.00E+05 mg/L
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Temperature
Refrigerator
Melting Point
164 °C
Merck
8875
Class
Industry
Functions
