HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Diisopropylaminoethanol
DIISOPROPYLAMINOETHANOL · 2-(DIISOPROPYLAMINO)ETHANOL · n,n-diisopropyl · Diisopropylethanolamin · Diisopropylethanolamine · DI-ISO-PROPYLAMINETHANOL · Acotinamide impurity c-5 · N,N-DIISOPROYLETHANOAMINE
Identifiers & Physical Properties
| CAS No. | 96-80-0 |
|---|---|
| Molecular formula | C8H19NO |
| Average molar mass | 145.24 g/mol |
| Monoisotopic mass | 145.14666423 g/mol |
| SMILES | CC(C)N(CCO)C(C)C |
| InChIKey | ZYWUVGFIXPNBDL-UHFFFAOYSA-N |
| PubChem CID | 7313 |
| ChEMBL | CHEMBL122184 |
| EC No. | 202-536-2 |
| DTXSID | DTXSID6021822 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 23.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 73.3 |
| Chemical classes | Corrosives |
| SpringerMaterials Properties | Optical coefficient |
| Density | 0.826 @25 °C0.826 g/mL at 25 °C(lit.) |
| Flash point | 175 °F (NFPA, 2010)158 °F |
| Boiling point | 190 °C @760 [mm Hg]187-192 °C(lit.) |
| Physical Description | N,n-diisopropyl ethanolamine appears as a colorless liquid. Slightly soluble in water and less dense than water. Severely irritates skin and eyes. Used to make other chemicals. |
| Melting point | -39 °C |
| Vapor density | 5 (vs air) |
| Vapor pressure | <1 mm Hg ( 20 °C) |
| Refractive index | n20/D 1.442(lit.) |
| Storage conditions | Refrigerator, under inert atmosphere |
| Solubility | Chloroform (Soluble), Methanol (Slightly) |
| Physical state | Oil |
| pKa (acidity coefficient) | 14.75±0.10(Predicted) |
| Color | Light Yellow to Yellow |
| BRN | 1697955 |
| Henry's law constant | 2.2×100 mol/(m3Pa) at 25℃, Du et al. (2017) |
| Stability | Stable. Incompatible with acids, strong oxidizing agents. |
| InChIKey | ZYWUVGFIXPNBDL-UHFFFAOYSA-N |
| CAS DataBase Reference | 96-80-0(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | DK7FND4TJZ |
| NIST Chemistry Reference | (Diisopropylamino)ethanol(96-80-0) |
| EPA Substance Registry System | Ethanol, 2-[bis(1-methylethyl)amino]- (96-80-0) |
| GHS pictogram | GHS05,GHS06 |
| Signal word | Danger |
| GHS hazard statements | H302-H311+H331-H314 |
| GHS precautionary statements | P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| Hazard symbols | T |
| Risk statements (R) | 20/22-24-34 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | UN 2922 8/PG 2 |
| Water hazard class (WGK) | 2 |
| RTECS number | KK5950000 |
| F | 9-23 |
| TSCA inventory status | TSCA listed |
| Hazard class | 3.2 |
| Packing group | III |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 182 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Ethanol, 2-[bis(1-methylethyl)amino]-Status: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21097Ethanol, 2-bis(1-methylethyl)amino-: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT label | Corrosive |
| Fire hazards | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Health hazards | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Reactive group | Alcohols and Polyols |
| Reactivity Profile | N,N-DIISOPROPYL ETHANOLAMINE is an amino alcohol. Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Slightly soluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Corrosives, Flammable agents - 2nd degree |
| Fire fighting | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| First aid | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Nonfire spill response | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Protective Action Criteria (PAC) | 1.5 [mg/m3]17 [mg/m3]99 [mg/m3] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| F | 9-23 |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| RTECS number | KK5950000 |
| UN transport number | UN 2922 8/PG 2 |
| Risk statements (R) | 20/22-24-34 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS06 |
| Hazard symbols | T |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 3.2 |
| Packing group | III |
| GHS hazard statements | H302-H311+H331-H314 |
| REACH registrations | Active |
| GHS precautionary statements | P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
Applications & Uses
Uses
2-(Diisopropylamino)ethanol is used in method for preparing Fluvardiol catalyzed by carbonyl reductase.
General Description
A colorless liquid. Slightly soluble in water and less dense than water. Severely irritates skin and eyes. Flash point 175°F. Used to make other chemicals.