CAS No.78-92-2,2-Butanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	78-92-2
Name:	2-Butanol
Article Data:	390

Formula:	C₄H₁₀O
Molecular Weight:	74.1228
Synonyms:	sec-Butylalcohol (8CI);1-Methyl-1-propanol;1-Methylpropyl alcohol;2-Hydroxybutane;3-Butanol;CCS 301;DL-Butan-2-ol;Ethylmethyl carbinol;Methylethylcarbinol;NSC 25499;Racemic-2-butanol;dl-Methylethylcarbinol;dl-sec-Butanol;s-Butanol;s-Butyl alcohol;2-Butanol;Tert-butyl alcohol;sec-Butyl alcohol;
EINECS:	201-158-5
Density:	0.8 g/cm³
Melting Point:	-115 °C(lit.)
Boiling Point:	96.6 °C at 760 mmHg
Flash Point:	26.7 °C
Solubility:	water: 12.5 g/100 mL (20 °C)
Appearance:	colourless liquid
Hazard Symbols:	Xi
Risk Codes:	10-36/37-67
Safety:	13-24/25-26-46-7/9
Transport Information:	UN 1120 3/PG 3
PSA:	20.23000
LogP:	0.77720

Raw Materials

75-69-4

110-22-5

53623-59-9

201230-82-2

3453-99-4

75-65-0

71-36-3

71-43-2

Downstream Products

2005-09-6

16156-54-0

2783-48-4

75-65-0

480-64-8

78-76-2

849440-86-4

30273-11-1

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Consensus Reports

Community Right-To-Know List. Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 100 ppm
ACGIH TLV: TWA 100 ppm
DFG MAK: 100 ppm (310 mg/m³)

Analytical Methods

For occupational chemical analysis use NIOSH: Alcohols II, 1401.

Specification

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,