1-Amino-2-propanol
MIPA · 1-aminopropan-2-ol · MONOISOPROPANOLAMINE · 1-AMINO-2-PROPANOL · ISOPROPANOLAMINE · DL-1-AMINO-2-PROPANOL · 3-Amino-2-propanol · 1-AMINOISOPROPANOL
Identifiers & Physical Properties
| CAS No. | 78-96-6 |
|---|---|
| Molecular formula | C3H9NO |
| Average molar mass | 75.11 g/mol |
| Monoisotopic mass | 75.06841391 g/mol |
| SMILES | CC(O)CN |
| InChIKey | HXKKHQJGJAFBHI-UHFFFAOYSA-N |
| PubChem CID | 4 |
| ChEMBL | CHEMBL326602 |
| ChEBI | CHEBI:19030 |
| EC No. | 201-162-7 |
| DTXSID | DTXSID9021764 |
Chemical & Physical Properties
| XLogP | -1 |
|---|---|
| Topological polar surface area | 46.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 5 |
| Formal charge | 0 |
| Complexity | 22 |
| Melting point | -2 °C (lit.) |
| Boiling point | 160 °C (lit.) |
| Density | 0.973 g/mL at 25 °C (lit.) |
| Vapor density | 2.6 (vs air) |
| Vapor pressure | <1 mm Hg ( 20 °C) |
| Refractive index | n20/D 1.4478(lit.) |
| FEMA | 3965 | 1-AMINO-2-PROPANOL |
| Flash point | 165 °F |
| Storage conditions | 2-8°C |
| Solubility | DMSO : 250 mg/mL (3328.45 mMNeed ultrasonic)freely soluble |
| Physical state | Liquid |
| pKa (acidity coefficient) | 12.92±0.35(Predicted) |
| Color | Clear |
| pH | 11.3 (10g/l, H2O, 20℃) |
| Odor | slt ammonia odor |
| Odor type | fishy |
| Biological source | synthetic |
| Explosive limits | 1.9-10.4%(V) |
| Freezing point | 1.4℃ |
| Sensitivity | Hygroscopic |
| JECFA Number | 1591 |
| BRN | 605275 |
| Henry's law constant | 4.2×104 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stability | Stable. Substances to be avoided include strong oxidizing agents. Combustible. Hygroscopic. |
| Major applications | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| Cosmetics Ingredients Functions | BUFFERING |
| InChI | 1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 |
| InChIKey | HXKKHQJGJAFBHI-UHFFFAOYSA-N |
| SMILES | CC(O)CN |
| LogP (partition coefficient) | -0.93 at 23℃ |
| Surface tension | 37.6mN/m at 293.15K |
| CAS DataBase Reference | 78-96-6(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | 1-AMINO-2-PROPANOL |
| FDA 21 CFR | 175.105176.170176.180176.210 |
| FDA UNII | UE40BY1BZW |
| NIST Chemistry Reference | 2-Propanol, 1-amino-(78-96-6) |
| EPA Substance Registry System | Monoisopropanolamine (78-96-6) |
| UNSPSC Code | 85151701 |
| NACRES | NA.24 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H312-H314 |
| GHS precautionary statements | P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P362+P364 |
| Hazard symbols | C,Xn |
| Risk statements (R) | 34-21/22 |
| Safety statements (S) | 23-26-36-45-36/37 |
| UN transport number | UN 2735 8/PG 2 |
| Water hazard class (WGK) | 1 |
| RTECS number | UA5775000 |
| Autoignition temperature | 335°C |
| TSCA inventory status | TSCA listed |
| Hazard class | 8Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1B |
| Packing group | II |
| Customs code | 29221980 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Hazardous substances data | 78-96-6(Hazardous Substances Data) |
| Toxicity | LD50 orl-rat: 1715 mg/kg GTPZAB 30(7),46,86 |
| REACH registrations | Active |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| Water hazard class (WGK) | 1 |
|---|---|
| TSCA inventory status | TSCA listed |
| RTECS number | UA5775000 |
| UN transport number | UN 2735 8/PG 2 |
| Customs code | 29221980 |
| Toxicity | LD50 orl-rat: 1715 mg/kg GTPZAB 30(7),46,86 |
| Risk statements (R) | 34-21/22 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | C,Xn |
| Safety statements (S) | 23-26-36-45-36/37 |
| Hazard class | 8Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H312-H314 |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| REACH registrations | Active |
| Autoignition temperature | 335°C |
| GHS precautionary statements | P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P362+P364 |
| Hazardous substances data | 78-96-6(Hazardous Substances Data) |
Applications & Uses
Occurrence
Reportedly present in sherry.
Uses
Synthetic and semisynthetic machine lubricating/cutting oil formulations have included isopropanolamine, diisopropanolamine, and triethanolamine, together with nitrites; consequently the EPA has promulgated standards regarding the composition of cutting fluids. No additional uses were found in the literature.
Uses
Amino-2-propanol is used to study the effect of temperature and water content on the molecular structure and hydrogen bonding of amino-2-propanol, which has been examined by Fourier transform near-infrared (FT-NIR) spectroscopy. Also used in used in the synthesis of protein kinase CK2 inhibitors used in the treatment of neoplasia and other infective diseases.
Uses
Amino-2-propanol can be used as a reactant to prepare: 5-methyl-2-oxazolidinone by oxidative carbonylation reaction using Pd(OAc)2/I2 catalyst. Bio-based polyurethanes by reacting with epoxidized soybean oil via ring-opening and amidation reaction. It can also be used as a solvent as well as a template to synthesize layered aluminophosphate containing a racemic mixture of isopropanolamine.
General Description
A colorless liquid with a slight ammonia-like odor. Less dense than water and soluble in water. Flash point 165°F. Corrosive to metals and tissue. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion. Used in plastics, paints, cutting oils, and specialized cleaning compounds.
Preparation & Synthesis
Preparation
By employing Salmonella, mutatant cobD, and aminopropanol