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108-11-2

Basic Information
CAS No.: 108-11-2
Name: 2-Pentanol, 4-methyl-
Molecular Structure:
Molecular Structure of 108-11-2 (2-Pentanol, 4-methyl-)
Formula: C6H14O
Molecular Weight: 102.18
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: IrritantXi
Risk Codes: 10-37
Safety: 24/25
Transport Information: UN 2053
PSA: 20.23000
LogP: 1.41330
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 25 ppm; STEL 40 ppm (skin)
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.