DL-sec-Butyl acetate

DL-sec-Butyl acetate Basic information
Product Name:DL-sec-Butyl acetate
Synonyms:1-Methylpropyl acetate;1-Methylpropyl ethanoate;1-methylpropylacetate;aceticacidsecondarybutylester;butylacetate(non-specificname);CH3COOCH(CH3)C2H5;sec-butyl;sec-Butyl alcohol acetate
CAS:105-46-4
MF:C6H12O2
MW:116.16
EINECS:203-300-1
Product Categories:Acetics acid and esters;C6 to C7;Carbonyl Compounds;Esters;105-46-4
Mol File:105-46-4.mol
DL-sec-Butyl acetate Structure
DL-sec-Butyl acetate Chemical Properties
Melting point −99 °C(lit.)
Boiling point 111-112 °C(lit.)
density 0.872 g/mL at 25 °C(lit.)
vapor density 4 (vs air)
vapor pressure 11.0 at 25 °C (Abraham, 1984)
refractive index n20/D 1.389(lit.)
Fp 61 °F
storage temp. Flammables area
solubility alcohol: soluble(lit.)
form Colorless liquid
color Colourless
Specific Gravity0.873 (20/4℃)
Odorpleasant smell
Odor Threshold0.0024ppm
Odor Typesolvent
explosive limit7.5%
Water Solubility 3 g/100 mL (20 ºC)
Merck 14,1536
BRN 1720689
Henry's Law Constant(x 10-4 atm?m3/mol): 1.91 at 20 °C (approximate - calculated from water solubility and vapor pressure)
Exposure limitsNIOSH REL: TWA 200 ppm (950 mg/m3), IDLH 1,700 ppm; OSHA PEL: TWA 200 ppm; ACGIH TLV: TWA 200 ppm (adopted).
LogP1.720
CAS DataBase Reference105-46-4(CAS DataBase Reference)
NIST Chemistry ReferenceAcetic acid, 1-methylpropyl ester(105-46-4)
EPA Substance Registry Systemsec-Butyl acetate (105-46-4)
Safety Information
Hazard Codes F,Xi
Risk Statements 11-36/37/38-66
Safety Statements 16-26-36/37/39-33-29-25-23-2
RIDADR UN 1123 3/PG 2
WGK Germany 3
RTECS AF7380000
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29349990
Hazardous Substances Data105-46-4(Hazardous Substances Data)
IDLA1,700 ppm
MSDS Information
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DL-sec-Butyl acetate Usage And Synthesis
Chemical PropertiesSec-Butyl acetate is a colorless liquid with a pleasant odor. The vapor mixes well with air, and become explosive mixtures. It reacts with strong oxidants, strong bases, strong acids, and nitrates, causing fi re and explosion hazard.
Chemical PropertiesButyl acetates are colorless or yellowish liquids with pleasant, fruity odors. There are 4 isomers.
Physical propertiesClear, colorless liquid with a pleasant odor. Odor threshold concentration in air is 2.4 ppbv (Nagata and Takeuchi, 1990).
UsesSolvent for nitrocellulose lacquers, thinners, nail enamels, leather finishes.
UsesIn solvents, especially lacquer solvents; textile sizes and paper coatings
Usessec-Butyl acetate is used in organic synthesis, catalytic agent, petrochemical additive.
Production Methodssec-Butyl acetate is prepared from sec-butanol and acetic anhydride. It is also prepared from 2-butene under pressure and heated to 115–120C with an excess of glacial acetic acid containing 10% sulfuric acid.
Synthesis Reference(s)Journal of the American Chemical Society, 77, p. 2287, 1955 DOI: 10.1021/ja01613a077
General DescriptionWatery colorless liquid with a pleasant, fruity odor. Floats on water. Produces irritating vapor.
Air & Water ReactionsHighly flammable. Water soluble.
Reactivity ProfileDL-sec-Butyl 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. Dissolves rubber and plastics [USCG, 1999].
HazardFlammable, dangerous fire risk. Eye and upper respiratory tract irritant.
Health HazardHeadaches, dizziness, nausea, irritation of respiratory passage and eyes.
Health HazardDuring prolonged occupational exposure, sec-butyl acetate causes health effects. The symptoms of toxicity include irritation to the skin and eyes. Exposures to high concentra tions of sec-butyl acetate irritate the nose and throat causing coughing and respiratory
Chemical ReactivityReactivity with Water: No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Safety ProfileAn irritant and allergen. See also ESTERS. Flammable liquid. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid and irritating fumes.
Potential Exposuren-Butyl acetate is an important solvent in the production of lacquers, leather and airplane dopes, and perfumes. It is used as a solvent and gasoline additive. sec-Butyl acetate is used as a widely used solvent for nitrocellulose, nail enamels and many different purposes. tert-Butyl acetate is common industrial solvent used in the making of lacquers, artificial leather, airplane dope, perfume; and as a food additive. Isobutyl acetate is used as a solvent and in perfumes and artificial flavoring materials
Carcinogenicitysec-Butyl acetate is not listed as a carcinogen by ACGIH, California Prop 65, IARC, NTP, or OSHA.
Environmental fatePhotolytic. The rate constant for the reaction of sec-butyl acetate and OH radicals in the atmosphere at 300 K is 3.4 x 10-12 cm3/molecule?sec (Hendry and Kenley, 1979).
Chemical/Physical. Slowly hydrolyzes in water forming sec-butyl alcohol and acetic acid.
ShippingUN1123 Butyl acetates, Hazard Class: 3; Labels: 3—Flammable liquid.
IncompatibilitiesAll butyl acetates are incompatible with nitrates, strong oxidizers; strong alkalies; strong acids. Butyl acetates may form explosive mixture with air; reacts with water, on standing, to form acetic acid and n-butyl alcohol. Violent reaction with strong oxidizers and potassium-tert-butoxide. Dissolves rubber, many plastics, resins and some coatings. May accumulate static electrical charges, and may cause ignition of its vapors
Waste DisposalDissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
PrecautionsDuring handling of sec-butyl acetate, occupational workers should avoid use of open flames, sparks, remove all ignition sources, and smoking. The vapor of sec-butyl acetate mixes well with air, and easily forms explosive mixtures. Workers should avoid using compressed air for fi lling, discharging, or handling.
DL-sec-Butyl acetate Preparation Products And Raw materials
Preparation ProductsSEC-BUTYL ETHYL ETHER-->DODECYL ACETATE
Ethyl acetate Vinyl acetate Isobutyl acetate Sodium acetate Cyclopropyl methyl ketone 3-Methyl-2-butanone tert-Butyl acetate 4-Methylphenylacetic acid Butyl acetate ACETATE Glatiramer acetate N,N-Dimethylallylamine tert-Butyl chloroacetate DL-sec-Butyl acetate tert-Butyl bromoacetate ACETOACETIC ACID N-BUTYL ESTER Methyl acetate 3-Chloro-2-methylpropene

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