1-Butanol

Bezeichnung:1-Butanol

CAS-Nr71-36-3

Englisch Name:1-Butanol

CBNumberCB9113046

SummenformelC4H10O

Molgewicht74.12

MOL-Datei71-36-3.mol

Synonyma

Butan-1-ol

1-Butanol

n-Butanol

1-Butanol physikalisch-chemischer Eigenschaften

Schmelzpunkt	-90 °C (lit.)
Siedepunkt	116-118 °C (lit.)
Dichte	0.81 g/mL at 25 °C (lit.)
Dampfdichte	2.55 (vs air)
Dampfdruck	6.7 hPa (20 °C)
Brechungsindex	n20/D 1.399(lit.)
FEMA	2178 \| BUTYL ALCOHOL
Flammpunkt	95 °F
storage temp.	Store at +5°C to +30°C.
Löslichkeit	water: soluble
Aggregatzustand	Liquid
pka	15.24±0.10(Predicted)
Farbe	APHA: ≤10
Relative polarity	0.586
PH	7 (70g/l, H2O, 20℃)
Geruch (Odor)	Alcohol-like; pungent; strong; characteristic; mildly alcoholic, non residual.
Explosionsgrenze	1.4-11.3%(V)
Odor Threshold	0.038ppm
Geruchsart	fermented
Wasserlöslichkeit	80 g/L (20 ºC)
Sensitive	Moisture Sensitive
maximale Wellenlänge (λmax)	λ: 215 nm Amax: 1.00 λ: 220 nm Amax: 0.50 λ: 240 nm Amax: 0.10 λ: 260 nm Amax: 0.04 λ: 280-400 nm Amax: 0.01
Merck	14,1540
JECFA Number	85
BRN	969148
Henry's Law Constant	49.2 at 50 °C, 92.0 at 60 °C, 152 at 70 °C, 243 at 80 °C (headspace-GC, Hovorka et al., 2002)
Expositionsgrenzwerte	TLV-TWA 300 mg/m³ (100 ppm) (NIOSH), 150 mg/m³ (50 ppm) (ACGIH); IDLH 8000 ppm (NIOSH).
Dielectric constant	17.1（25℃）
Stabilität	Stable. Incompatible with strong acids, strong oxidizing agents, aluminium, acid chlorides, acid anhydrides, copper, copper alloys. Flammable.
LogP	0.88
CAS Datenbank	71-36-3(CAS DataBase Reference)
NIST chemische Informationen	1-Butanol(71-36-3)
EPA chemische Informationen	1-Butanol (71-36-3)

Sicherheit

Kennzeichnung gefährlicher	Xn,T,F
R-Sätze:	10-22-37/38-41-67-39/23/24/25-23/24/25-11
S-Sätze:	13-26-37/39-46-7/9-45-36/37-16-7
RIDADR	UN 1120 3/PG 3
WGK Germany	1
RTECS-Nr.	EO1400000
Selbstentzündungstemperatur	649 °F
TSCA	Yes
HS Code	2905 13 00
HazardClass	3
PackingGroup	III
Giftige Stoffe Daten	71-36-3(Hazardous Substances Data)
Toxizität	LD50 orally in rats: 4.36 g/kg (Smyth)
IDLA	1,400 ppm

Gefahreninformationscode (GHS)

1-Butanol Chemische Eigenschaften,Einsatz,Produktion Methoden

ERSCHEINUNGSBILD
FARBLOSE FLüSSIGKEIT MIT CHARAKTERISTISCHEM GERUCH.
CHEMISCHE GEFAHREN
Reagiert mit Aluminium beim Erhitzen auf 100°C, starken Oxidationsmitteln wie Chromtrioxid; Bildung brennbarer/explosionsfähiger Gase (z.B. Wasserstoff, ICSC-Nr. 0001.) Greift einige Kunststoff-, Gummi- und Beschichtungsarten an.
ARBEITSPLATZGRENZWERTE
TLV: 20 ppm (als TWA); (ACGIH 2005).
MAK: 100 ppm, 310 mg/m? Spitzenbegrenzung: überschreitungsfaktor I(1); Schwangerschaft: Gruppe C; (DFG 2005).
AUFNAHMEWEGE
Aufnahme in den Körper durch Inhalation der Dämpfe und durch Verschlucken.
INHALATIONSGEFAHREN
Beim Verdampfen bei 20°C tritt langsam eine gesundheitsschädliche Kontamination der Luft ein.
WIRKUNGEN BEI KURZZEITEXPOSITION
WIRKUNGEN BEI KURZZEITEXPOSITION:
Die Substanz reizt die Haut und reizt stark die Augen. Der Dampf reizt die Augen und die Atemwege. Exposition weit oberhalb der Arbeitsplatzgrenzwerte kann Bewusstseinstrübung verursachen. Verschlucken kann zur Aufnahme in der Lunge führen; Gefahr der Aspirationspneumonie.
WIRKUNGEN NACH WIEDERHOLTER ODER LANGZEITEXPOSITION
Die Flüssigkeit entfettet die Haut.
LECKAGE
Persönliche Schutzausrüstung: Atemschutzfilter für organische Gase und Dämpfe. Ausgelaufene Flüssigkeit in abdichtbaren Behältern sammeln. Reste mit Sand oder inertem Absorptionsmittel aufnehmen und an einen sicheren Ort bringen. Reste mit viel Wasser wegspülen.
R-Sätze Betriebsanweisung:
R10:Entzündlich.
R22:Gesundheitsschädlich beim Verschlucken.
R37/38:Reizt die Atmungsorgane und die Haut.
R41:Gefahr ernster Augenschäden.
R67:Dämpfe können Schläfrigkeit und Benommenheit verursachen.
R39/23/24/25:Giftig: ernste Gefahr irreversiblen Schadens durch Einatmen, Berührung mit der Haut und durch Verschlucken.
R23/24/25:Giftig beim Einatmen, Verschlucken und Berührung mit der Haut.
R11:Leichtentzündlich.
S-Sätze Betriebsanweisung:
S13:Von Nahrungsmitteln, Getränken und Futtermitteln fernhalten.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S46:Bei Verschlucken sofort ärztlichen Rat einholen und Verpackung oder Etikett vorzeigen.
S7/9:Behälter dicht geschlossen an einem gut gelüfteten Ort aufbewahren.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
S16:Von Zündquellen fernhalten - Nicht rauchen.
S7:Behälter dicht geschlossen halten.
Beschreibung
n-Butyl alcohol is a colourless flammable liquid with strong alcoholic odour. n-Butyl alcohol is a highly refractive liquid and burns with a strongly luminous flame. It is incompatible with strong acids, strong oxidising agents, aluminium, acid chlorides, acid anhydrides, copper, and copper alloys. n-Butyl alcohol has an extensive use in a large number of industries. For instance, it is used as solvent in industries associated with the manufacturing of paints, varnishes, synthetic resins, gums, pharmaceuticals, vegetable oils, dyes, and alkaloids. n-Butyl alcohol finds its use in the manufacture of artificial leather, rubber, plastic cements, shellac, raincoats, perfumes, and photographic films.
Chemische Eigenschaften
1-Butanol is a colorless, volatile liquid with a rancid sweet odor. The air odor threshold of 1-butanol was reported to be 0.83 ppm ; others have identified the minimum concentration with identifiable odor as 11 and 15 ppm.
Chemische Eigenschaften
n-Butyl alcohol is a colorless flammable liquid with a strong alcoholic odor. n-Butyl alcohol is a highly refractive liquid and burns with a strongly luminous flame. It is incompatible with strong acids, strong oxidizing agents, aluminium, acid chlorides, acid anhydrides, copper, and copper alloys. n-Butyl alcohol has extensive use in a large number of industries. For instance, it is used as a solvent in industries associated with the manufacturing of paints, varnishes, synthetic resins, gums, pharmaceuticals, vegetable oils, dyes, and alkaloids. n-Butyl alcohol is used in the manufacture of artificial leather, rubber, and plastic cements, shellac, raincoats, perfumes, and photographic films. It is a solvent, chemical intermediate and an additive in unleaded gasoline.
Physikalische Eigenschaften
Clear, colorless liquid with a rancid sweet odor similar to fusel oil. Experimentally determined detection and recognition odor threshold concentrations were 900 μg/m³ (300 ppb_v) and 3.0 mg/m³ (1.0 ppm_v), respectively (Hellman and Small, 1974). Odor threshold concentration in water is 500 ppb (Buttery et al., 1988). The least detectable odor threshold in concentration water at 60 °C was 0.2 mg/L (Alexander et al., 1982). Cometto-Mu?iz et al. (2000) reported nasal pungency threshold concentrations ranging from approximately 900 to 4,000 ppm.
Occurrence
1-Butanol is a natural product found in Vitis rotundifolia, Cichorium endivia, peppermint oil from Brazil, Achillea ageratum, tea, apple aroma, American cranberry, black currants, guava fruit, papaya, cooked asparagus, tomato, Swiss cheese, Parmesan cheese, heated butter, cognac, Armagnac, rum and cider.
Verwenden
1-Butanol is used in the production of butylacetate, butyl glycol ether, and plasticizerssuch as dibutyl phthalate; as a solvent in thecoating industry; as a solvent for extractionsof oils, drugs, and cosmetic nail products;and as an ingredient for perfumes and flavor.
1-Butanol occurs in fusel oil and as aby-product of the fermentation of alcoholicbeverages such as beer or wine. It is presentin beef fat, chicken broth, and nonfilteredcigarette smoke (Sherman 1979).
Verwenden
As solvent for fats, waxes, resins, shellac, varnish, gums etc.; manufacture of lacquers, rayon, detergents, other butyl Compounds; in microscopy for preparing paraffin imbedding materials.
Vorbereitung Methode
The principal commercial source of 1-butanol is n-butyraldehyde obtained from the oxo reaction of propylene, followed by hydrogenation in the presence of a catalyst . 1-Butanol has also been produced from ethanol via successive dehydrogenation to acetaldehyde, followed by an aldol process. The earliest commercial route to 1-butanol, which is still used extensively in many Third World countries, employs fermentation of molasses or corn products with Clostridium acetobutylicum .
Definition
ChEBI: 1-Butanol is a primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. It has a role as a protic solvent, a human metabolite and a mouse metabolite. It is a primary alcohol, a short-chain primary fatty alcohol and an alkyl alcohol.
Aroma threshold values
Detection: 500 ppb to 509 ppm
Allgemeine Beschreibung
Colorless liquid. Used in organic chemical synthesis, plasticizers, detergents, etc.
Air & Water Reaktionen
Highly flammable. Soluble in water.
Reaktivität anzeigen
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.
Hazard
Toxic on prolonged inhalation, irritant to eyes. Toxic when absorbed by skin. Flammable, moderate fire risk. Eye and upper respiratory tract irritant.
Health Hazard
Anesthesia, nausea, headache, dizziness, irritation of respiratory passages. Mildly irritating to the skin and eyes.
Health Hazard
The toxicity of 1-butanol is lower than thatof its carbon analog. Target organs are theskin, eyes, and respiratory system. Inhalationcauses irritation of the eyes, nose, and throat.It was found to cause severe injury to rabbits’eyes and to penetrate the cornea uponinstillation into the eyes. Chronic exposureof humans to high concentrations may causephotophobia, blurred vision, and lacrimation.
A concentration of 8000 ppm was maternallytoxic to rats, causing reduced weightgain and feed intake. Teratogenicity wasobserved at this concentration with a slightincrease in skeletal malformations (Nelsonet al. 1989).
In a single acute oral dose, the LD50 value(rats) is 790 mg/kg; in a dermal dose theLD50 value (rabbits) is 4200 mg/kg.
n-Butanol is oxidized in vivo enzymaticallyas well as nonenzymatically and iseliminated rapidly from the body in the urineand in expired air. It inhibits the metabolismof ethanol caused by the enzyme alcoholdehydrogenase.
Based on the available data, the useof n-butanol as an ingredient is consideredsafe under the present practices andconcentrations in cosmetic nail products(Cosmetic, Toiletry and Fragrance Association1987a).
Health Hazard
Exposures to n-butyl alcohol by inhalation, ingestion, and/or skin absorption are harm ful. n-Butyl alcohol is an irritant, with a narcotic effect and a CNS depressant. Butyl alcohols have been reported to cause poisoning with symptoms that include, but are not limited to, irritation to the eyes, nose, throat, and the respiratory system. Prolonged exposure results in symptoms of headache, vertigo, drowsiness, corneal infl amma tion, blurred vision, photophobia, and cracked skin. It is advised that workers com ing in contact with n-butyl alcohol should use protective clothing and barrier creams. Occupational workers with pre-existing skin disorders or eye problems, or impaired liver, kidney or respiratory function may be more susceptible to the effects of the substance.
Brandgefahr
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.
Sicherheitsprofil
A poison by intravenous route. Moderately toxic by skin Review: Group 3 IMEMDT 7,56,87; Animal Inadequate Evidence IMEMDT 39,67,86* contact, ingestion, subcutaneous, and intraperitoneal routes. Human systemic Reported in EPA TSCA Inventory. Community fight-To-Ihow List. OSHA PEL: TWA 10 pprn Classifiable as a Carcinogen DFG MAK: 2 ppm (11 mg/m3) DOT CLASSIFICATION: 3; Label: Flammable Liquid ingestion, inhalation, skin contact, and intraperitoneal routes. Experimental reproductive effects. A skin and eye irritant. Questionable carcinogen. A flammable fight fire, use foam, CO2, dry chemical. Incompatible with oxidzing materials. When heated to decomposition it emits acrid and irritating fumes. See also ESTERS. effects by inhalation: conjunctiva irritation, unspecified respiratory system effects, and nasal effects. Experimental reproductive Though animal experiments have shown the butyl alcohols to possess toxic properties, they have produced few cases of poisoning in industry, probably because of their low reported to have resulted in irritation of the eyes, with corneal inflammation, slight headache and H2ziness, slight irritation of the nose and throat, and dermatitis about fingers. Keratitis has also been reported. Mutation data reported.
Synthese
n-Butyl alcohol is obtained by fermentation of glycerol, mannite, starches, and sugars in general, using Bacillus butylicus sometimes synergized by the presence of Clostridium acetobutryricum; synthetically, from acetylene.
mögliche Exposition
Butyl alcohols are used as solvents for paints, lacquers, varnishes, natural and synthetic resins, gums, vegetable oils, dyes, camphor, and alkaloids. They are also used as an intermediate in the manufacture of pharmaceuticals and chemicals; in the manufacture of artificial leather, safety glass; rubber and plastic cements, shellac, raincoats, photographic films, perfumes; and in plastic fabrication.
Erste Hilfe
If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit.
Source
1-Butanol naturally occurs in white mulberries and papaya fruit (Duke, 1992). Identified as one of 140 volatile constituents in used soybean oils collected from a processing plant that fried various beef, chicken, and veal products (Takeoka et al., 1996).
Environmental Fate
2Biological. 1-Butanol degraded rapidly, presumably by microbes, in New Mexico soils releasing carbon dioxide (Fairbanks et al., 1985). Bridié et al. (1979) reported BOD and COD values of 1.71 and 2.46 g/g using filtered effluent from a biological sanitary waste treatment plant. These values were determined using a standard dilution method at 20 °C for a period of 5 d. Heukelekian and Rand (1955) reported a similar 5-d BOD value of 1.66 g/g which is 64.0% of the ThOD value of 2.59 g/g. Using the BOD technique to measure biodegradation, the mean 5-d BOD value (mM BOD/mM 1-butanol) and ThOD were 3.64 and 60.7%, respectively (Vaishnav et al., 1987). In activated sludge inoculum, following a 20-d adaptation period, 98.8% COD removal was achieved. The average rate of biodegradation was 84.0 mg COD/g?h (Pitter, 1976).
Photolytic. An aqueous solution containing chlorine and irradiated with UV light (λ = 350 nm) converted 1-butanol into numerous chlorinated compounds which were not identified (Oliver and Carey, 1977).
Reported rate constants for the reaction of 1-butanol and OH radicals in the atmosphere: 6.8 x 10-10 cm³/molecule?sec at 292 K (Campbell et al., 1976), 8.31 x 10^-12 cm³/molecule?sec (Wallington and Kurylo, 1987). Reported rate constants for the reaction of 1-butanol and OH radicals in the atmosphere: 8.3 x 10^-12 cm³/molecule?sec at 298 K (Atkinson, 1990); with OH radicals in aqueous solution: 2.2 x 10^-9 L/molecule?sec (OH concentration 10-17 M) (Anbar and Neta, 1967). Based on an atmospheric OH concentration of 1.0 x 106 molecule/cm³, the reported half-life of 1-butanol is 0.96 d (Grosjean, 1997).
Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor. Burns with a strongly luminous flame (Windholz et al., 1983).
1-Butanol will not hydrolyze because it has no hydrolyzable functional group (Kollig, 1993).
At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 466 mg/L. The adsorbability of the carbon used was 107 mg/g carbon (Guisti et al., 1974).
Lager
Store n-butyl alcohol in a cool, dry, well-ventilated location, away from smoking areas. Fire hazard may be acute. Outside or detached storage is preferred. Separate from incompatibles. Containers should be bonded and grounded for transfer to avoid static sparks
Versand/Shipping
UN1120 Butanols, Hazard Class: 3; Labels: 3— Flammable liquid. UN1212 Isobutanol or Isobutyl alcohol, Hazard Class: 3; Labels: 3—Flammable liquid
läuterung methode
Dry it with MgSO4, CaO, K2CO3, or solid NaOH, followed by refluxing with, and distillation from, small amounts of calcium, magnesium activated with iodine, or aluminium amalgam. It can also be dried with molecular sieves, or by refluxing with n-butyl phthalate or succinate. (For method, see Ethanol.) n-Butanol can also be dried by efficient fractional distillation, water passing over in the first fraction as a binary azeotrope (contains about 37% water). An ultraviolet-transparent distillate has been obtained by drying with magnesium and distilling from sulfanilic acid. To remove bases, aldehydes and ketones, the alcohol is washed with dilute H2SO4, then NaHSO4 solution; esters are removed by boiling for 1.5hours with 10% NaOH. It has also been purified by adding 2g NaBH4 to 1.5L butanol, gently bubbling with argon and refluxing for 1 day at 50o. Then adding 2g of freshly cut sodium (washed with butanol) and refluxed for 1day. Distil and collect the middle fraction [Jou & Freeman J Phys Chem 81 909 1977]. [Beilstein 1 IV 1506.]
Toxicity evaluation
The primary effects observed following oral and inhalation exposure in rats and mice to n-butyl alcohol include neurological and neurodevelopmental effects. n-Butyl alcohol has been evaluated in a large number of experimental animal and in vitro studies examining possible mechanisms for alcoholinduced neurotoxicity. One proposed mechanism is that alcohols, in general, produce neurological changes by disrupting the lipid bilayer. A few experimental animal studies have shown that n-butyl alcohol, like other alcohols, can disrupt membrane integrity. Other in vitro and experimental animal studies have demonstrated that n-butyl alcohol interacts with protein-receptors and modulates their effects such that it potentiates inhibitory g-aminobutyric acid (GABA) and glycine receptors and inhibits excitatory neuronal receptors such a glutamate. This modulatory action of n-butyl alcohol is supportive of the observed neurobehavioral changes (e.g., central nervous system (CNS) depressant profile) associated with n-butyl alcohol exposure in humans.
In addition, experimental animal studies have shown that n-butyl alcohol inhibits fetal rat brain astroglial cell proliferation by disrupting the phospholipase D (PLD) signaling pathway. Inhibition of astroglial cell proliferation, which has been postulated as a mode of action for ethanol-induced microencephaly and mental retardation observed in cases of fetal alcohol syndrome. These mechanisms can also be relevant to the observed dilation in the brain that has been noted in animals gestationally exposed to n-butyl alcohol.
Inkompatibilitäten
Butyl alcohols may form explosive mixture with air. In all cases they are Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. Attacks some plastics, rubber and coatings. n-Butanol is incompatible with strong acids; halogens, caustics, alkali metals; aliphatic amines; isocyanates. sec-Butanol forms an explosive peroxide in air. Ignites with chromium trioxide. Incompatible with strong oxidizers; strong acids; aliphatic amines; isocyanates, organic peroxides. tert-Butanol is incompatible with strong acids (including mineral acid), including mineral acids; strong oxidizers or caustics, aliphatic amines; isocyanates, alkali metals (i.e., lithium, sodium, potassium, rubidium, cesium, francium). isoButanol is incompatible with strong acids; strong oxidizers; caustics, aliphatic amines; isocyanates, alkali metals and alkali earth. May react with aluminum at high temperatur
Waste disposal
Incineration, or bury absorbed waste in an approved land fill.

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