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| CAS No.: | 78-96-6 |
|---|---|
| Name: | Amino-2-propanol |
| Article Data: | 64 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H9NO |
| Molecular Weight: | 75.1106 |
| Synonyms: | DL-Isopropanolamine;1-Aminopropan-2-ol;1-Methyl-2-aminoethanol;2-Amino-1-methylethanol;2-Hydroxy-1-propylamine; |
| EINECS: | 201-162-7 |
| Density: | 0.943 g/cm3 |
| Melting Point: | -2 °C |
| Boiling Point: | 159.9 °C at 760 mmHg |
| Flash Point: | 73.9 °C |
| Solubility: | immiscible with water, ethanol phase, insoluble in ether |
| Appearance: | colorless or light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 23-26-36-45 |
| Transport Information: | UN 2735 8/PG 2 |
| PSA: | 46.25000 |
| LogP: | 0.02620 |
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Specification
The 1-Amino-2-propanol with CAS registry number of 78-96-6 is also known as 1-Amino-2-hydroxypropane. The IUPAC name is 1-Aminopropan-2-ol. Its EINECS registry number is 201-162-7. In addition, the formula is C3H9NO and the molecular weight is 75.11. This chemical is a colorless or light yellow liquid and immiscible with water, ethanol phase and insoluble in ether.
Physical properties about 1-Amino-2-propanol are: (1)ACD/LogP: -0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.03; (4)ACD/LogD (pH 7.4): -3.27; (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: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 20.97 cm3; (15)Molar Volume: 79.6 cm3; (16)Polarizability: 8.31×10-24cm3; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 0.943 g/cm3; (19)Flash Point: 73.9 °C; (20)Enthalpy of Vaporization: 46.18 kJ/mol; (21)Boiling Point: 159.9 °C at 760 mmHg; (22)Vapour Pressure: 0.858 mmHg at 25 °C.
Preparation of 1-Amino-2-propanol: it is prepared by reaction of propylene oxide with ammonia. Mixing propylene oxide and ammonia. Preheating the mixture. After deamination, dehydration, vacuum distillation, distillation, product is obtained.
Uses of 1-Amino-2-propanol: it is used as solvents, surfactants, plasticizers, emulsifiers, antistatic agents in fiber industry and rubber vulcanization accelerator. This chemical also can be used as surfactants of raw materials, detergent and so on. What's more, it can be used to prepare non-water-soluble detergent such as dry cleaning products.
When you are using this chemical, please be cautious about it. As a chemical, it can cause burns. During using it, wear suitable protective clothing and do not breathe gas/fumes/vapour/spray. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, if accident happens or you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. SMILES: OC(C)CN
2. InChI: InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
3. InChIKey: HXKKHQJGJAFBHI-UHFFFAOYAP
4. Std. InChI: InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
5. Std. InChIKey: HXKKHQJGJAFBHI-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | skin | > 1gm/kg (1000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(7), Pg. 46, 1986. | |
| mouse | LDLo | intraperitoneal | 250mg/kg (250mg/kg) | BEHAVIORAL: EXCITEMENT | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 232, 1952. |
| rabbit | LD50 | skin | 1640uL/kg (1.64mL/kg) | Union Carbide Data Sheet. Vol. 5/21/1971, | |
| rat | LD50 | oral | 1715mg/kg (1715mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(7), Pg. 46, 1986. |