3,3-DIMETHYL-1-BUTANOL
3,3-dimethyl-1-butanol
CAS: 624-95-3
Molecular Formula: C6H14O
3,3-DIMETHYL-1-BUTANOL - Names and Identifiers
| Name | 3,3-dimethyl-1-butanol |
| Synonyms | Dimethylbutanol 3,3-Dimethylbutanol 3,3-dimethyl-1-butano 3,3-DIMETHYL-1-BUTANOL 3,3-dimethylbutan-1-ol 3,3-dimethyl-1-butanol 3,3-Dimethylbutane-1-ol 3,3-dimethyl-butan-1-ol |
| CAS | 624-95-3 |
| EINECS | 210-872-6 |
| InChI | InChI=1/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3 |
| InChIKey | DUXCSEISVMREAX-UHFFFAOYSA-N |
3,3-DIMETHYL-1-BUTANOL - Physico-chemical Properties
| Molecular Formula | C6H14O |
| Molar Mass | 102.17 |
| Density | 0.844g/mLat 25°C(lit.) |
| Melting Point | −60°C(lit.) |
| Boling Point | 143°C(lit.) |
| Flash Point | 118°F |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 2.2mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Almost colorless |
| BRN | 1731466 |
| pKa | 15.17±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.414(lit.) |
| MDL | MFCD00002928 |
3,3-DIMETHYL-1-BUTANOL - Risk and Safety
| Risk Codes | 10 - Flammable |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S23/24/25 - |
| UN IDs | UN 1987 3/PG 3 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29051990 |
| Hazard Class | 3.2 |
| Packing Group | III |
3,3-DIMETHYL-1-BUTANOL - Reference
| Reference Show more | 1. [IF=3.046] Jiawen Mao et al."Repeated 3,3-Dimethyl-1-butanol exposure alters social dominance in adult mice."Neurosci Lett. 2021 Jul;758:136006 |
3,3-DIMETHYL-1-BUTANOL - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | 3, 3-dimethyl-1-butyl Ester is a carboxylic acid ester organic compound, which can be used as an intermediate in organic synthesis. |
| preparation | 3, 3-dimethyl-1-butyl ester can be prepared from tert-butyl alcohol and ethylene, 3-dimethylbutyl sulfate was obtained by reaction with sodium hydroxide. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | intraperitoneal-rat LD50: 150 mg/kg |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
Last Update：2024-04-09 21:54:55
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