628-63-7 Usage
Physical properties
Colorless liquid with a sweet, banana-like odor. A detection odor threshold concentration of 275
μg/m3 (52 ppbv) was reported by Punter (1983). Cometto-Mu?iz and Cain (1991) reported an
average nasal pungency threshold concentration of 1,650 ppmv.
Uses
Different sources of media describe the Uses of 628-63-7 differently. You can refer to the following data:
1. Banana essence. Used as test odorant in studies of olfactory function and in studies of the psychosocial effects of odor.
2. A colorless liquid made by adding sulfuric acid to a mixture
of amyl alcohol and acetic acid with subsequent recovery
by distillation. It is slightly soluble in water but insoluble
in alcohol. Amyl acetate was used as one of the solvents
in making celluloid film and as fuel for the Alteneck lamp,
adopted as the standard light in sensitometry by the International
Congress of Photography in 1889.
3. n-Amyl acetate is used as a solvent forlacquers and paints; in fabrics’ printing; innail polish; and as a flavoring agent.
Definition
ChEBI: An acetate ester of pentanol.
Production Methods
n-Amyl acetate is the produced by the esterification of
N-amyl alcohol with acetic acid.
Synthesis Reference(s)
Synthetic Communications, 21, p. 1545, 1991 DOI: 10.1080/00397919108021051Tetrahedron Letters, 50, p. 395, 2009 DOI: 10.1016/j.tetlet.2008.11.024The Journal of Organic Chemistry, 45, p. 2915, 1980 DOI: 10.1021/jo01302a035
General Description
A mixture of isomers. A clear colorless liquid with a banana-like odor. Flash point varies from 65°F. to 95°F. Less dense (at 7.2 lb / gal) than water and slightly soluble in water. Hence floats on water. Vapors heavier than air.
Air & Water Reactions
Highly flammable. Slightly soluble in water.
Reactivity Profile
AMYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Amyl acetate is incompatible with the following: Nitrates; strong oxidizers, alkalis & acids .
Hazard
Flammable, high fire risk. Explosive limits
in air 1.1–7.5%.
Health Hazard
n-Amyl acetate is a narcotic, an irritant tothe eyes and respiratory passage, and at highconcentrations, an anesthesia. Exposure toabout 300 ppm in air for 30 minutes mayproduce eye irritation in humans. Higherconcentrations (>1000 ppm) may produceheadache, somnolence, and narcotic effects.Exposure to 5200 ppm for 8 hours was lethalto rats. It is more toxic than the loweraliphatic esters. An LD50 value in rats iswithin the range 6000 mg/kg.
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.
Chemical Reactivity
Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Safety Profile
Moderately toxic by
intraperitoneal route. Human systemic
effects by inhalation: conjunctiva irritation,
headache, and somnolence. A human eye
irritant. Apparently more toxic than butyl
acetate. Chronic toxicity is of a low order.
Dangerous fire hazard when exposed to heat
or flame; can react with oxidizing materials.
Moderately explosive in the form of vapor
when exposed to flame. To fight fire, use
alcohol foam, dry chemical. When heated to
decomposition it emits acrid smoke and
irritating fumes. See also ESTERS, AMYL
ALCOHOL, and ACETIC ACID.
Environmental fate
Chemical/Physical. Hydrolyzes in water forming acetic acid and 1-pentanol.
At an influent concentration of 985 mg/L, treatment with GAC resulted in an effluent
concentration of 119 mg/L. The adsorbability of the carbon used was 175 mg/g carbon (Guisti et
al., 1974).
Purification Methods
Shake the ester with saturated NaHCO3 solution until neutral, washed it with water, dry with MgSO4 and distil it. The ester has also been purfied by repeated fractional distillation through an efficient column or spinning band column. [Timmermann & Hennant-Roland J Chim Phys 52 223 1955, Mumford & Phillips J Chem Soc 75 1950, 1H NMR: Crawford & Foster Can J Phys 34 653 1956, Beilstein 2 IV 152.]
Check Digit Verification of cas no
The CAS Registry Mumber 628-63-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 8 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 628-63:
(5*6)+(4*2)+(3*8)+(2*6)+(1*3)=77
77 % 10 = 7
So 628-63-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
628-63-7Relevant articles and documents
Chambers,Clark
, p. 2741 (1970)
Stable and recyclable MIL-101(Cr)–Ionic liquid based hybrid nanomaterials as heterogeneous catalyst
Hassan, Hassan M.A.,Betiha, Mohamed A.,Mohamed, Shaimaa K.,El-Sharkawy,Ahmed, Emad A.
, p. 385 - 394 (2017)
Br?nsted acidic ionic liquid, N-methyl-2-pyrrolidonium methyl sulfonate ([NMP]+?CH3SO3?) immobilized on MIL-101(Cr) was fabricated by simple impregnation method with a good combination of MIL-101(Cr) and IL species. The worthiness of IL/MIL-101(Cr), as a Br?nsted acid catalyst, has been examined for the esterification of acetic acid with amyl alcohol and Friedel–Crafts acylation of anisole. Our findings demonstrated that IL/MIL-101(Cr) catalyst exhibited distinct catalytic activity with respect to the other catalysts towards the esterification reaction and Friedel–Crafts acylation of anisole. The Br?nsted acidic catalysts loaded on MIL-101(Cr) as a new category of porous materials are probably auspicious heterogeneous catalysts for acid-catalyzed to replace the use of traditional homogeneous catalysts. Furthermore, the catalyst can be easily removed from the reactions mixtures and reuse for posterior reactions, more than six times without any considerable decay in catalytic performance.
Synthesis and characterization of a new acid molten salt and the study of its thermal behavior and catalytic activity in Fischer esterification
Zaharani, Lia,Khaligh, Nader Ghaffari,Johan, Mohd Rafie,Gorjian, Hayedeh
, p. 7081 - 7088 (2021/05/03)
A new acid molten salt was prepared and its structure elucidation was conducted by FTIR, 1D NMR, 2D NMR, and mass spectrometry. Further support to elucidate the chemical structure of the 1H,4H-piperazine-N,N′-diium ring of the new acid molten salt was achieved by1H and13C NMR, and COSY analyses of 1H,4H-piperazine-N,N′-diium dibromide, which is synthesized and characterized for the first time in the current work. The analysis of FTIR and NMR spectra as well as pH and titrimetric analysis excluded the formation of [SO4]2?and the presence of an excess of H2SO4. Moreover, no distinguishing peak was detected for the acid proton of [HSO4]?in DMSO-d6. The thermal phase transition and thermal stability of the acid molten salt were also recorded, which approved the strong interaction between a dication and hydrogen sulfate anions. According to the acidity of the new molten salt, we encourage the study of its catalytic activity for the acetylation ofn-pentanol using glacial acetic acid. Pentyl acetate was obtained in 89.0% conversion and 78.0% isolated yield. The1H NMR spectrum of the residue showed an excess of HOAc together with molten salt, whereas the1H NMR spectrum of the upper phase exhibited pure pentyl acetate. After separation of the upper phase, the residue was concentrated and used in the next run without further purification. No significant changes in the chemical structure and catalytic activity of the new molten salt were observed even after the 5th run. Two chiral alcohols, including (?)-menthol and (+)-borneol, as well as α-tocopherol (α-TCP) were also acetylated with acetic acid in the presence of the new acid molten salt under optimized reaction conditions, which afforded the desired acetates in high yields.
Molybdenum-modified mesoporous SiO2as an efficient Lewis acid catalyst for the acetylation of alcohols
Hlatshwayo, Xolani S.,Ndolomingo, Matumuene Joe,Bingwa, Ndzondelelo,Meijboom, Reinout
, p. 16468 - 16477 (2021/05/19)
A suitable, expeditious and well-organized approach for the acetylation of alcohols with acetic anhydride in the presence of 5%MoO3-SiO2 as an optimum environmentally benign heterogeneous catalyst was developed. The high surface area obtained for 5%MoO3-SiO2, 101 m2 g-1 compared to other catalysts, 22, 23, and 44 m2 g-1 for 5%WO3-ZrO2, 5%WO3-SiO2, and 5%MoO3-ZrO2, respectively, appears to be the driving force for better catalytic activity. Amongst the two dopants used, molybdenum oxide is the better dopant compared to its tungsten oxide counterpart. High yields of up to 86% were obtained with MoO3 doping while WO3 containing catalysts did not show any activity. Other reaction parameters such as reactor stirring speed, and solvent variation were studied and revealed that the optimum stirring speed is 400 rpm and cyclohexane is the best solvent. Thus, the utilization of affordable and nontoxic materials, short reaction times, reusability, and producibility of excellent yields of the desired products are the advantages of this procedure.