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.
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.
Synthesis, Characterisation, and Determination of Physical Properties of New Two-Protonic Acid Ionic Liquid and its Catalytic Application in the Esterification
Shahnavaz, Zohreh,Zaharani, Lia,Khaligh, Nader Ghaffari,Mihankhah, Taraneh,Johan, Mohd Rafie
, p. 165 - 172 (2020/10/26)
A new ionic liquid was synthesised, and its chemical structure was elucidated by FT-IR, 1D NMR, 2D NMR, and mass analyses. Some physical properties, thermal behaviour, and thermal stability of this ionic liquid were investigated. The formation of a two-protonic acid salt namely 4,4′-trimethylene-N,N′-dipiperidinium sulfate instead of 4,4′-trimethylene-N,N′-dipiperidinium hydrogensulfate was evidenced by NMR analyses. The catalytic activity of this ionic liquid was demonstrated in the esterification reaction of n-butanol and glacial acetic acid under different conditions. The desired acetate was obtained in 62-88 % yield without using a Dean-Stark apparatus under optimal conditions of 10 mol-% of the ionic liquid, an alcohol to glacial acetic acid mole ratio of 1.3: 1.0, a temperature of 75-100°C, and a reaction time of 4 h. α-Tocopherol (α-TCP), a highly efficient form of vitamin E, was also treated with glacial acetic acid in the presence of the ionic liquid, and O-acetyl-α-tocopherol (Ac-TCP) was obtained in 88.4 % yield. The separation of esters was conducted during workup without the utilisation of high-cost column chromatography. The residue and ionic liquid were used in subsequent runs after the extraction of desired products. The ionic liquid exhibited high catalytic activity even after five runs with no significant change in its chemical structure and catalytic efficiency.
