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| CAS No.: | 120-40-1 |
|---|---|
| Name: | LAURIC ACID DIETHANOLAMIDE |
| Molecular Structure: | |
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| Formula: | C16H33NO3 |
| Molecular Weight: | 287.443 |
| Synonyms: | Denone 2863;Detergent 6501;Detergent 6502;Diethanolaminelauroylamide;Diethanollauramide;Duspar LA 2000;Emid 6511;Empilan LDE;Ethylan MLD;Hetamide ML;Incromide LR;Lauric aciddiethanolamide;Monamid 150LWA;N,N-Bis(2-hydroxyethyl)dodecanamide;N,N-Bis(2-hydroxyethyl)lauramide;N,N-Di(2-hydroxyethyl)lauramide;N,N-Diethanollauric acid amide;N-Dodecanoyldiethanolamine;N-Lauroyldiethanolamine;Ninaer;Ninol 30LL;Ninol50LL;Ninol 52LL;Ninol 55LL;Ninol 70SL;Ninol AA 62;Ninol AA 62 Extra;Nissan Stafoam DL;Onyxol 345;Pionin D 1110; |
| EINECS: | 204-393-1 |
| Density: | 0.984 g/cm3 |
| Melting Point: | 45-48℃ |
| Boiling Point: | 443.2 °C at 760 mmHg |
| Flash Point: | 221.9 °C |
| Solubility: | insoluble in water |
| Appearance: | Off-white waxy solid |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/38 |
| Safety: | 26 |
| PSA: | 60.77000 |
| LogP: | 2.72050 |
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- 111-82-0
methyl n-dodecanoate
- 111-42-2
2,2'-iminobis[ethanol]
- 120-40-1
N,N-bis-(2-hydroxy-ethyl)-lauramide
| Conditions | Yield |
|---|---|
| at 110℃; for 1h; Catalytic behavior; Reagent/catalyst; | 99% |
| at 110℃; | 99% |
| With sodium hydroxide at 100℃; for 5h; | 85% |
| With sodium hydroxide at 110℃; for 5h; | 84.24% |
| With Candida antarctica lipase In acetonitrile at 50℃; for 24h; | 56.5% |
| Conditions | Yield |
|---|---|
| at 50 - 190℃; under 760.051 - 7500.75 Torr; Microwave irradiation; | 97% |
| With Candida antarctica lipase; calcium chloride In acetonitrile at 50℃; for 24h; | 76% |
| With Candida antarctica lipase In acetonitrile at 50℃; for 24h; Kinetics; | 49.5% |
| Stage #1: lauric acid; 2,2'-iminobis[ethanol] With benzotriazol-1-ol; triethylamine In dichloromethane for 0.25h; Cooling with ice; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; Cooling with ice; |
- 112-16-3
n-dodecanoyl chloride
- 111-42-2
2,2'-iminobis[ethanol]
- 120-40-1
N,N-bis-(2-hydroxy-ethyl)-lauramide
| Conditions | Yield |
|---|---|
| In methanol; diethyl ether | 88% |
| With chloroform at 15 - 20℃; | |
| With tert.-butylhydroperoxide; ammonia In dichloromethane at -2℃; pH=9; |
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase In acetonitrile at 50℃; for 24h; | 35.8% |
- 538-24-9
tridodecanoylglycerol
- 111-42-2
2,2'-iminobis[ethanol]
- 120-40-1
N,N-bis-(2-hydroxy-ethyl)-lauramide
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase In acetonitrile at 50℃; for 24h; | 31.1% |
- 25859-09-0
2-(2-lauroyloxy-ethylamino)-ethanol
- 120-40-1
N,N-bis-(2-hydroxy-ethyl)-lauramide
| Conditions | Yield |
|---|---|
| at 56℃; Geschwindigkeit der Isomerisierung; |
| Conditions | Yield |
|---|---|
| Magnesol; sodium methylate In methanol at 70℃; for 1h; Kinetics; |
| Conditions | Yield |
|---|---|
| sodium methylate In methanol at 50 - 70℃; for 6h; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: caprolactam; thionyl chloride / ethanol / -2 °C 2: ammonia; tert.-butylhydroperoxide / dichloromethane / -2 °C / pH 9 View Scheme |
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Consensus Reports
Specification
The Lauric diethanolamide , with cas registry number of 120-40-1, has other registry numbers including 15517-64-3, 39341-48-5, 83452-99-7, 83590-20-9, 92680-75-6. Its IUPAC name is called N,N-bis(2-hydroxyethyl)dodecanamide . And its systematic name is also named as N,N-bis(2-hydroxyethyl)dodecanamide . Its superlist name include (1) Diethanolamide of methyl laurate ; (2) Dodecanamide, N,N-bis(2-hydroxyethyl)- ; (3) Lauric acid diethanolamine condensation ; (4) Lauroyl diethanolamide ; (5) N,N-Bis(2-hydroxyethyl)dodecanamide . According to its uses that this chemical is the component of shampoo implicated in contact dermatitis, it belongs to the categories of Hair Care; Home Care; Skin Care.
Physical properties of Lauric diethanolamide are: (1) ACD/LogP: 3.94 ; (2) # of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.94 ; (4) ACD/LogD (pH 7.4): 3.94 ; (5) ACD/BCF (pH 5.5): 578.16 ; (6) ACD/BCF (pH 7.4): 578.16 ; (7) ACD/KOC (pH 5.5): 3301.24 ; (8) ACD/KOC (pH 7.4): 3301.24 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 16 ; (12) Index of Refraction: 1.48 ; (13) Molar Refractivity: 82.99 cm3 ; (14) Molar Volume: 292 cm3 ; (15) Surface Tension: 39.6 dyne/cm ; (16) Density: 0.984 g/cm3 ; (17) Flash Point: 221.9 °C ; (18) Enthalpy of Vaporization: 80.88 kJ/mol ; (19) Boiling Point: 443.2 °C at 760 mmHg ; (20) Vapour Pressure: 1.02E-09 mmHg at 25°C.
Preparation of Lauric diethanolamide : this chemical can be prepared by 2,2'-azanediyl-bis-ethanol and dodecanoic acid .
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The reaction occurs at the temperature of 50 ℃ using the reagents of Candida antarctica lipase and CaCl2 in the solvent of acetonitrile for 24 hours. The yield is about 76.0%.
You can still convert the following datas into molecular structure:
(1) SMILES:O=C(N(CCO)CCO)CCCCCCCCCCC;
(2) InChI:InChI=1/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3;
(3) InChIKey:AOMUHOFOVNGZAN-UHFFFAOYAZ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 2700mg/kg (2700mg/kg) | Journal of the Society of Cosmetic Chemists. Vol. 13, Pg. 469, 1962. |