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| CAS No.: | 108-11-2 |
|---|---|
| Name: | 4-Methyl-2-pentanol |
| Article Data: | 222 |
| Molecular Structure: | |
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|
|
| Formula: | C6H14O |
| Molecular Weight: | 102.177 |
| Synonyms: | Methyl isobutyl carbinol; |
| EINECS: | 203-551-7 |
| Density: | 0.811 g/cm3 |
| Melting Point: | -90 °C |
| Boiling Point: | 133.5 °C at 760 mmHg |
| Flash Point: | 41.1 °C |
| Solubility: | 2 g/100 mL in water |
| Appearance: | clear liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-37 |
| Safety: | 24/25 |
| Transport Information: | UN 2053 |
| PSA: | 20.23000 |
| LogP: | 1.41330 |
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Consensus Reports
Standards and Recommendations
ACGIH TLV: TWA 25 ppm; STEL 40 ppm (skin)
DFG MAK: 25 ppm (110 mg/m3)
DOT Classification: 3; Label: Flammable Liquid
Specification
The 4-Methyl-2-pentanol, also known as Methyl isobutyl carbinol (MIBC), is an organic compound with the formula C6H14O. It belongs to the product category of Organic Acids. Its EINECS registry number is 210-790-0. With the CAS registry number 108-11-2, its IUPAC name is 4-methylpentan-2-ol. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from strong oxides, fire and heat. What's more, this chemical is a clear colorless liquid.
Physical properties of 4-Methyl-2-pentanol: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 1.57; (4)ACD/BCF (pH 5.5): 9.19; (5)ACD/BCF (pH 7.4): 9.19; (6)ACD/KOC (pH 5.5): 170.25; (7)ACD/KOC (pH 7.4): 170.25; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.411; (12)Molar Refractivity: 31.29 cm3; (13)Molar Volume: 125.8 cm3; (14)Surface Tension: 25.3 dyne/cm; (15)Density: 0.811 g/cm3; (16)Flash Point: 41.1 °C; (17)Enthalpy of Vaporization: 43.23 kJ/mol; (18)Boiling Point: 133.5 °C at 760 mmHg; (19)Vapour Pressure: 3.68 mmHg at 25°C.
Preparation: this chemical can be prepared by acetone. This reaction will need catalyst Ca(OH)2 or Ba(OH)2. Then you will get diacetone alcohol at pressure condensation. This chemical is dewatered to get isopropyl deneacetone. At last, it will generate 4-Methyl-2-pentanol via hydrogenation.
Uses of 4-Methyl-2-pentanol: it can be used primarily as a frother in mineral flotation. It is also used as a solvent, in organic synthesis, and in the manufacture of brake fluid and as a precursor to some plasticizers.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is flammable. In addition, it is irritating to respiratory system. What's more, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CC(C)O
(2)InChI: InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
(3)InChIKey: WVYWICLMDOOCFB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 812mg/kg (812mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961. | |
| mouse | LDLo | oral | 1gm/kg (1000mg/kg) | GASTROINTESTINAL: OTHER CHANGES | University of California, Berkeley, Publications in Pharmacology. Vol. 2, Pg. 217, 1949. |
| rabbit | LD50 | skin | 3560uL/kg (3.56mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| rat | LCLo | inhalation | 2000ppm/4H (2000ppm) | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949. | |
| rat | LD50 | oral | 2590mg/kg (2590mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. |