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| CAS No.: | 1120-48-5 |
|---|---|
| Name: | Dioctylamine |
| Molecular Structure: | |
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|
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| Formula: | C16H35N |
| Molecular Weight: | 241.461 |
| Synonyms: | Dioctylamine(6CI,8CI);N-Octyloctan-1-amine;N-n-Octyl-n-octylamine; |
| EINECS: | 214-311-6 |
| Density: | 0.8 g/cm3 |
| Melting Point: | 13-16 °C(lit.) |
| Boiling Point: | 297.5 °C at 760 mmHg |
| Flash Point: | 126.8 °C |
| Solubility: | immiscible |
| Appearance: | colourless to light yellow liquid |
| Hazard Symbols: |
 Xi;  C;  N
|
| Risk Codes: | 22-34-50/53-36/37/38 |
| Safety: | 26-36/37/39-45-60-61-29-36 |
| Transport Information: | UN 2735 8/PG 3 |
| PSA: | 12.03000 |
| LogP: | 5.68790 |
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N-(benzyloxycarbonyl)dioctylamine
- 1120-48-5
n-dioctylamine
| Conditions | Yield |
|---|---|
| With N1,N1,N12,N12-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine In N,N-dimethyl-formamide for 72h; Inert atmosphere; Glovebox; UV-irradiation; | 99% |
| With lithium triethylborohydride In tetrahydrofuran at 0 - 20℃; for 1h; | 72% |
| With naphthalen-1-yl-lithium In tetrahydrofuran at 0℃; for 5h; | 71 % Chromat. |
- 1120-48-5
n-dioctylamine
| Conditions | Yield |
|---|---|
| With naphthalene; lithium In tetrahydrofuran; methanol at 20℃; for 3h; | 97% |
| Conditions | Yield |
|---|---|
| With [{CyPN(H)P}Co(CH2SiMe3)]-BArF4 In toluene at 120℃; for 24h; Schlenk technique; Sealed tube; | 96% |
| With hydrogen In 1,3,5-trimethyl-benzene at 140℃; under 760.051 Torr; for 24h; Reagent/catalyst; | 93% |
| With Co2Rh2/C In toluene at 180℃; under 760.051 Torr; for 6h; Autoclave; Inert atmosphere; | 88% |
- 1120-48-5
n-dioctylamine
| Conditions | Yield |
|---|---|
| With C24H32N8Ni(2+)*2I(1-); sodium amalgam In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere; | 95% |
| With N1,N1,N12,N12-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine In N,N-dimethyl-formamide at 20℃; for 72h; UV-irradiation; | 59% |
| With C84H70N6P4 In toluene at 110℃; for 24h; Temperature; Inert atmosphere; | 56% |
- 1120-48-5
n-dioctylamine
| Conditions | Yield |
|---|---|
| Stage #1: N,N-dioctyltritylamine With naphthalene; lithium In tetrahydrofuran at 0℃; for 3.5h; Stage #2: With water In tetrahydrofuran at 0 - 20℃; | 90% |
- 1116-76-3
Tri-n-octylamine
- 28144-70-9
anthranilic acid amide
A
- 124-13-0
Octanal
B
- 1120-48-5
n-dioctylamine
C
- 1352945-74-4
2-heptyl-3,4-dihydroquinazoline-4(3H)-one
| Conditions | Yield |
|---|---|
| With diphenyl-phosphinic acid; oxygen In 1,4-dioxane at 25℃; for 12h; | A n/a B n/a C 82% |
| Conditions | Yield |
|---|---|
| With 5-methyl-1,3,4-thiadiazol-2-amine; potassium carbonate In ethanol; water at 25℃; for 1h; | 81% |
| Multi-step reaction with 2 steps 1: 1.) sodium hydride / 1.) DMF, 20 deg C, 1 h, 2.) 80 deg C, 18 h View Scheme | |
| Multi-step reaction with 3 steps 1: 1.) sodium hydride / 1.) DMF, 20 deg C, 1 h, 2.) 80 deg C, 18 h 2: 1.) NaH / 1.) DMF, 1 h, 2.) 70 deg C, 6 h 3: 77 percent / NaBH4 / ethanol / 15 h / 60 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sodium hydride, trifluoroacetamide / dimethylformamide / 18 h / 80 °C View Scheme | |
| Multi-step reaction with 3 steps 1: sodium hydride, trifluoroacetamide / dimethylformamide / 18 h / 80 °C 2: 1.) NaH / 1.) DMF, 1 h, 2.) 70 deg C, 6 h 3: 77 percent / NaBH4 / ethanol / 15 h / 60 °C View Scheme |
| Conditions | Yield |
|---|---|
| With platinum-nickel nanoclusters on activated carbon; hydrogen at 180℃; under 760.051 Torr; Reagent/catalyst; Flow reactor; chemoselective reaction; | A 81% B 18% |
- 339529-04-3
N-Octylideneoctylamine N-oxide
- 1120-48-5
n-dioctylamine
| Conditions | Yield |
|---|---|
| With 4,4'-di-tert-butylbiphenyl; lithium; nickel dichloride In tetrahydrofuran at 20℃; for 6h; | 80% |
- 14618-32-7
N,N-Dioctyl-trifluoracetamid
- 1120-48-5
n-dioctylamine
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In ethanol at 60℃; for 15h; | 77% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The CAS registry number of Dioctylamine is 1120-48-5. Its EINECS registry number is 214-311-6. The IUPAC name is N-octyloctan-1-amine. In addition, the molecular formula is C16H35N and the molecular weight is 241.46. It is also called di(n-octyl)amine. What's more, it is a kind of colourless to light yellow liquid and belongs to the classes of Amines; C11 to C38; Nitrogen Compounds. And it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 7.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 99.5; (6)ACD/BCF (pH 7.4): 124.14; (7)ACD/KOC (pH 5.5): 123.31; (8)ACD/KOC (pH 7.4): 153.84; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 79.76 cm3; (15)Molar Volume: 301.4 cm3; (16)Polarizability: 31.62 ×10-24cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.8 g/cm3; (19)Flash Point: 126.8 °C; (20)Enthalpy of Vaporization: 53.74 kJ/mol; (21)Boiling Point: 297.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00134 mmHg at 25°C.
Preparation of Dioctylamine: it can be prepared by octanol and ammonia in the presence of solvent alumina or carbon. In addition, it also can be prepared by N,N-Dioctyl-trifluoracetamid. This reaction will need reagent NaBH4 and solvent ethanol. The reaction time is 15 hours at reaction temperature of 60 °C. The yield is about 77%.
Uses of Dioctylamine: it can be used as intermediate for the preparation of antistatic agent, softener, surfactant and fungicide. And it is also used as metal extraction agent and amine solvent. In addition, it can be used to get octanal. This reaction will need reagents mTFMB and KOH, and solvent ethyl acetate. The yield is about 70% at reaction temperature of -78 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. And it is harmful if swallowed and irritating to eyes, respiratory system and skin. Moreover, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). What's more, this material and/or its container must be disposed of as hazardous waste. You avoid release to the environment and you can refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: N(CCCCCCCC)CCCCCCCC
(2)InChI: InChI=1/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3
(3)InChIKey: LAWOZCWGWDVVSG-UHFFFAOYAU