1-Butanol [for SpectrophotoMetry] CAS NO.71-36-3

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1-Butanol Basic information

Characteristics and history of discovery Preparation of water saturated 1-butanol solution Content Analysis Reference quality standards Toxicity Limited use The maximum allowable amount of food additives and maximum allowable residue Chemical Properties Uses Production method Category Toxicity grading Acute toxicity Irritation data Hazardous characteristics of explosive Flammability and hazard characteristics Storage characteristics Extinguishing agent Professional standards

Product Name:	1-Butanol
Synonyms:	AQUALINE STANDARD 10.0;1-Butyl alcohol;1-butylalcohol;1-Hydroxybutane;Alcool butylique;alcoolbutylique;alcoolbutylique(french);butanol(french)
CAS:	71-36-3
MF:	C4H10O
MW:	74.12
EINECS:	200-751-6
Product Categories:	Pharmaceutical Intermediates;1-Alkanols;Analytical Chemistry;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes;Solvents for HPLC & Spectrophotometry;Solvents for Spectrophotometry;HPLC Solvents;Chemistry;Scharlau HPLC;ACS and Reagent Grade Solvents;ACS Grade;ACS Grade Solvents;Amber Glass Bottles;Carbon Steel Flex-Spout Cans;Semi-Bulk Solvents;Solvent Bottles;Solvent by Application;Solvent Packaging Options;Solvents;Analytical Reagents;Analytical/Chromatography;CHROMASOLV Plus;Chromatography Reagents &;HPLC &;HPLC Plus Grade Solvents (CHROMASOLV);HPLC/UHPLC Solvents (CHROMASOLV);UHPLC Solvents (CHROMASOLV);NMR;Spectrophotometric Solvents;Spectroscopy Solvents (IR;UV/Vis);Chamaemelum nobile (Chamomile tea);Citrus aurantium (Seville orange);Ephedra sinica;Nutrition Research;Phytochemicals by Plant (Food/Spice/Herb);Reagent;ReagentPlus;ReagentPlus Solvent Grade Products;Vaccinium myrtillus (Bilberry);Alcohols;Aliphatic;Analytical Standards;Chemical Class;Plastic Bottles;Anhydrous Solvents;Sure/Seal Bottles;NULL
Mol File:	71-36-3.mol

1-Butanol Usage And Synthesis

Characteristics and history of discovery	1-Butanol is a type of alcohol with four carbon atoms being contained per molecule. Its molecular formula is CH3CH2CH2CH2OH with three isomers, namely iso-butanol, sec-butanol and tert-butanol. It is colorless liquid with alcohol odor.  It has the boiling point of being 117.7 ℃, the density (20 ℃) being ??0.8109g / cm3, the freezing point being -89.0 ℃, flash point being 36 ~ 38 ℃, self-ignition point being 689F and the refractive index being (n20D) 1.3993. At 20 ℃, its solubility in water is 7.7% (by weight) while the water solubility in 1-butanol was 20.1% (by weight). It is miscible with ethanol, ether and other kinds of organic solvents. It can be used as the solvents of a variety of paints and the raw material for producing the plasticizers, dibutyl phthalate. It can also be used for the manufacture of butyl acrylate, butyl acetate, and ethylene glycol butyl ether and also used as the extract of intermediates of organic synthesis and biochemical drugs and can also used in the manufacture of surfactants. Its steam can form explosive mixtures with air with the explosion limit being 3.7% ~ 10.2% (volume fraction).  1-butanol was first discovered by C-A. Wurtz (French) from the fusel oil obtained from the fermentation process of alcohol in 1852. In 1913, the British Strange - Graham Companies have used corn as raw material for production of acetone through the fermentation process with butanol being the main byproduct. Later, due to the increasing demand for butanol, the fermentation production factory began to mainly synthesize n-butanol with acetone and ethanol being the major byproduct. During the Second World War, the German chemical company (Ruhr) began to apply propylene carboxyl method for the production of 1-butanol. With the rise of the oil industry in 1950s, the 1-butanol synthesis method had gotten rapid development with the propylene carboxyl method having the fastest speed.
Preparation of water saturated 1-butanol solution	Add 21 mL of water and 100 mL of 1-butanol to separating funnel of 150 mL, shake for 3 min, stand for layering; and then remove the lower layer with the upper layer being water-saturated 1-butanol solution. (The density of water: 1 g / ml; 1-butanol density: 0.808 ~ 0.811 g / ml).
Content Analysis	For the determination of 1-butanol and volatile impurities according to the general gas chromatography (GT-10), use the following conditions:  Column steel column, length: 1.8m; inner diameter: 6.4mm, the packing material should be 10% polyethylene glycol 400M (PEG 400M) with the carrier being 60/80 mesh diatomaceous soil carrier. Carrier gas: Helium with a flow rate of 45ml / min. Detector: Flame ionization type. Injector temperature 150 ℃, column temperature 90 0 ℃ detector 150 ℃. The above information is edited by the Chemicalbook of Dai Xiongfeng.
Reference quality standards	Quality Index (GB / T 6027 --- 1998)  Item: Excellent grade first-grade Qualified Test Method  Appearance transparent liquid without visible impurities visually  Chroma (Platinum - Cobalt) Number ≤ 5 10 15 GB3143 Density (20 ℃) g / cm 3 0.809-0.811 0.809-0.811 0.808-0.812 GB4472  Butanol content% ≥ 99.50 99 98 GB / T6027 Acidity (acetic acid)% ≤ 0.003 0.005 0.01 GB / T6027 Sulfuric acid color test (platinum - cobalt) No. ≤ 20 40 ----- GB / T6027 Moisture% ≤ 0.10 0.10 0.2 GB6283 Evaporation residue% ≤ 0.003 0.005 0.01 GB6324.2
Toxicity	ADI value is not specified (FAO / WHO, 1994).  GRAS (FEMA).  LD50: 790 mg / kg (rat, oral).
Limited use	FEMA (mg / kg): used for flavor: soft drinks 12; cold 7.0; 34 Confectionery; Bakery 32; Wine 1.0; dilute cream 4.0.  According to FDA§173.1, there should be no residue (used as a solvent); in addition, according to the provisions of §172.515, the usage as flavor should be limited as moderate amount (2000).
The maximum allowable amount of food additives and maximum allowable residue
Chemical Properties	It is colorless liquid with alcohol odor. At 20 ℃, its solubility in water is 7.7% (by weight) while the water solubility in 1-butanol was 20.1% (by weight). It is miscible with ethanol, ether and other kinds of organic solvents.
Uses	It can be used as chromatography analysis reagents and also applied to organic synthesis, etc.  Butanol is the allowable food flavors documented in the "food additives health standards" of China. It is mainly used for the preparation of food flavors of bananas, butter, cheese and whiskey. For the candy, the usage amount should be 34mg / kg; for baked foods, it should be 32mg / kg; for soft drinks, it should be 12mg / kg; for cold drinks, it should be 7.0mg / kg; for the cream, it should be 4.0mg / kg; for alcohol, it should be 1.0mg / kg.  Butanol can be used as the intermediates of herbicide 2,4-D butyl ester, butachlor, fluazifop and fluazifop P butyl.  GB 2760-96 provides it be the food flavor allowed by using it. It can be mainly used for the preparation of bananas, butter, cheese, whiskey and other flavor. It can also be used as extraction-purpose solvent and pigment diluent. It is mainly used for the manufacture of the n-butyl plasticizers of phthalic acid, aliphatic dicarboxylic acid and phosphoric acid that are widely applied to various kinds of plastic and rubber products. It can also be used as the raw material of producing butyraldehyde, butyric acid, butyl-amine and butyl lactate in the field of organic synthesis. It can also be used as the extraction agent of oil, drugs (such as antibiotics, hormones and vitamins) and spices as well as the alkyd paint additives. It can be used as the solvent of organic dyes and printing ink and de-waxing agent. It can be used for the production of the plasticizers of butyl acetate, dibutyl phthalate and phosphate and can also be used in the production of melamine resin, crylic acid, and epoxy varnish, etc.
Production method	There are several methods for their preparation.  Fermentation In the past, the production of butanol has also used potatoes, grain or sugar as raw material and through their hydrolysis fermentation. The resulting product from the fermentation broth contains a butanol content of 54.8% ~ 58.5%, acetone content of 30.9% ~ 33.7%, and the ethanol content of 7.8% -14.2%. With the development of petrochemical industry, fermentation method has been gradually phased out. The reaction equation is as follows: (C6H10O5) n [n (H2O)] → [strain] n-C6H12O6 [fermentation] → CH3COCH3 + C4H9OH + C2H5OH The resulted fermentation broth was further fractionated to obtain acetone, ethanol and n-butanol separately.  Acetaldehyde method Take acetaldehyde as raw material, add dilute alkali solution to give 2- hydroxybutyraldehyde at temperature below 20 ℃ with the reaction being stopped upon reaching 50%. Use alkali to neutralize the acid and recycle the unreacted acetaldehyde and extract the 2- hydroxybutyraldehyde. Then use acidic catalyst such as sulfuric acid and acetic acid for dehydration to obtain crotonaldehyde at 105 ~ 137 ℃, then use copper complex catalyst for hydrogenation at 160 ~ 240 ℃ to obtain the crude butyraldehyde and 1-butanol with distillation to obtain the products. CH3CH = CHCHO + H2 [catalyst] CH3CH2CH2CHO + CH3CH2CH2CH2OH Its synthesis method including the following several ways: Fermentation and Propylene carbonyl synthesis  Put propylene, carbon monoxide and hydrogen to the catalytic bed for reaction with catalyst being zeolite for absorbing cobalt salt or fatty acid cobalt with the reaction temperature being 130 ~ 160 ℃ and the reaction pressure being 20 ~ 25MPa. The reaction can generate n-butyraldehyde and iso-butyraldehyde with separation via distillation and further catalytic hydrogenation of the n-butyraldehyde to obtain the 1-butanol. CH3CH2CH2CHO + H2 → CH3CH2CH2CH2OH You can alternatively use low pressure method with first-step method of propylene, carbon monoxide and water for synthesizing the butanol with the reaction temperature being 100 ~ 104 ℃ and pressure being 1.5MPa. It applies the mixture of iron pentacarbonyl, n-butyl pyrrolidine and water. However, the one-way conversion of the propylene is low with only 8% to 10%. Reaction equation: CH3CH = CH2 + 3CO + 2H2O → n-C4H9OH + 2CO2
Category	Flammable liquid
Toxicity grading	poisoning
Acute toxicity	oral- rat LD50: 790 mg / kg; intraperitoneal - Mouse LD50: 603 mg / kg
Irritation data	Skin- Rabbit 20 mg / 24 hours of moderate; Eyes - rabbit 2 mg / 24 hours of severe
Chemical Properties	Colorless liquid
Hazardous characteristics of explosive	it is explosive when mixed with air;
Usage	Suitable for HPLC, spectrophotometry, environmental testing
Flammability and hazard characteristics	it is flammable in case of fire, high temperature and oxidant; it release irritation smoke when exposed to heat
Storage characteristics	Treasury: ventilation, low-temperature and drying; Store it separately from oxidizing agents, chromium trioxide, and aluminum
Extinguishing agent	Dry powder, water spray, carbon dioxide, foam
Professional standards	TWA 300 mg / m3
General Description	Colorless liquid. Used in organic chemical synthesis, plasticizers, detergents, etc.
Air & Water Reactions	Highly flammable. Soluble in water.
Reactivity Profile	1-Butanol attacks plastics. [Handling Chemicals Safely 1980. p. 236]. Mixtures with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. May form explosive butyl hypochlorite by reacting with hypochlorous acid. May form butyl explosive butyl hypochlorite with chlorine.
Health Hazard	Anesthesia, nausea, headache, dizziness, irritation of respiratory passages. Mildly irritating to the skin and eyes.
Fire Hazard	HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.