Basic Information | Post buying leads | Suppliers | Cas Database |
Community Right-To-Know List. Reported in EPA TSCA Inventory.
OSHA PEL: TWA 100 ppm
ACGIH TLV: TWA 100 ppm
DFG MAK: 100 ppm (310 mg/m3)
For occupational chemical analysis use NIOSH: Alcohols II, 1401.
The sec-Butanol, with the CAS registry number 78-92-2, is also known as -Methyl-1-propanol; 2-Butanol; sec-Butyl alcohol.It belongs to the product categories of Industrial/Fine Chemicals;A-B;Amber Glass Bottles;Analytical Reagents;Analytical Reagents for General Use;Analytical/Chromatography;Nutrition Research. Its EINECS number is 201-158-5. This chemical's molecular formula is C4H10O and molecular weight is 74.12. What's more,Its systematic name is 2-Butanol. It is Water insoluble .Sec-Butanol is mainly converted to butanone which is an important in industrial solvent and found in many domestic cleaning agents and paint removers. It is also sometimes used as a solvent. sec-Butanol is colourless liquid with an alcohol odor. It is soluble in water.
Physical properties about sec-Butanol are:
(1)ACD/LogP: 0.683; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.94; (6)ACD/BCF (pH 7.4): 1.94; (7)ACD/KOC (pH 5.5): 56.02; (8)ACD/KOC (pH 7.4): 56.02; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.393; (13)Molar Refractivity: 22.074 cm3; (14)Molar Volume: 92.445 cm3; (15)Surface Tension: 24.3740005493164 dyne/cm; (16)Density: 0.802 g/cm3; (17)Flash Point: 26.667 °C; (18)Enthalpy of Vaporization: 40.75 kJ/mol; (19)Boiling Point: 96.608 °C at 760 mmHg; (20)Vapour Pressure: 25.2439994812012 mmHg at 25°C;
Safety Profile of the sec-Butanol:
Poison by intravenous and intraperitoneal routes. Mildly toxic by ingestion. Experimental reproductive effects. A skin and eye irritant. See also n-BUTYL ALCOHOL and ALCOHOLS. Dangerous fire hazard when exposed to heat or flame. Auto-oxidizes to an explosive peroxide. Ignites on contact with chromium trioxide. To fight fire, use water spray, alcohol foam, CO2, dry chemical. Incompatible with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes.It is moderately irritates the eyes and skin. Prolonged and repeated contact may cause defatting and drying of the skin. Vapors may irritate the nose, throat and respiratory tract. May be harmful by ingestion. Acetyl bromide reacts violently with alcohols or water. Mixtures of alcohols with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. Alkyl hypochlorites are violently explosive. They are readily obtained by reacting hypochlorous acid and alcohols either in aqueous solution or mixed aqueous-carbon tetrachloride solutions. Chlorine plus alcohols would similarly yield alkyl hypochlorites. They decompose in the cold and explode on exposure to sunlight or heat. Tertiary hypochlorites are less unstable than secondary or primary hypochlorites. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence.
Production of sec-Butanol:
In industry, sec-Butanol is manufactured by the hydration of 1-butene or 2-butene :
You can still convert the following datas into molecular structure:
(1)SMILES:OC(C)CC;
(2)Std. InChI:InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3;
(3)Std. InChIKey:BTANRVKWQNVYAZ-UHFFFAOYSA-N.
The toxicity data of sec-Butanol as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | oral | 2400mg/kg (2400mg/kg) | National Technical Information Service. Vol. OTS0572377, | |
frog | LDLo | parenteral | 15gm/kg (15000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935. |
guinea pig | LD50 | intraperitoneal | 1067mg/kg (1067mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
hamster | LD50 | intraperitoneal | 1218mg/kg (1218mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
mouse | LD50 | intraperitoneal | 771mg/kg (771mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 2, 1961. | |
mouse | LD50 | intravenous | 764mg/kg (764mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. | |
rabbit | LD50 | intraperitoneal | 277mg/kg (277mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
rabbit | LD50 | oral | 4893mg/kg (4893mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA CARDIAC: PULSE RATE SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. |
rat | LCLo | inhalation | 16000ppm/4H (16000ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Shell Chemical Company. Vol. MSDS-5280-4, |
rat | LD50 | intraperitoneal | 1193mg/kg (1193mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
rat | LD50 | intravenous | 138mg/kg (138mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
rat | LD50 | oral | 2193mg/kg (2193mg/kg) | BEHAVIORAL: COMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0557575, |
rat | LD50 | skin | > 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. OTS0557575, |