| 词条 | Butyl acetate |
| 释义 |
| Watchedfields = changed | verifiedrevid = 443492007 | Name = n-Butyl acetate | ImageFile_Ref = {{chemboximage|correct|??}} | ImageFile = Butylacetat.svg | ImageAlt = Skeletal formula of butyl acetate | ImageFile1 = Butyl acetate 3D ball.png | ImageSize1 = 220px | ImageAlt1 = Ball-and-stick model of the butyl acetate molecule | PIN = Butyl acetate | SystematicName = Butyl ethanoate | OtherNames = n-Butyl acetate Acetic acid n-butyl ester Butile |Section1={{Chembox Identifiers | Abbreviations = BuAcO | ChEBI_Ref = {{ebicite|correct|EBI}} | ChEBI = 31328 | SMILES = CCCCOC(=O)C | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID = 29012 | UNII_Ref = {{fdacite|correct|FDA}} | UNII = 464P5N1905 | KEGG_Ref = {{keggcite|correct|kegg}} | KEGG = C12304 | InChI = 1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChIKey = DKPFZGUDAPQIHT-UHFFFAOYAF | ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL = 284391 | StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI = 1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey = DKPFZGUDAPQIHT-UHFFFAOYSA-N | CASNo = 123-86-4 | CASNo_Ref = {{cascite|correct|CAS}} | PubChem = 31272 | UNNumber = 1123 | RTECS = AF7350000 | EINECS = 204-658-1 |Section2={{Chembox Properties | C=6 | H=12 | O=2 | Appearance = Colorless liquid | Odor = Fruity | Density = 0.8825{{nbsp}}g/cm3 (20{{nbsp}}°C)[1] | Solubility = 0.68{{nbsp}}g/100 mL (20{{nbsp}}°C)[1] | SolubleOther = Miscible in EtOH Soluble in acetone, CHCl3[1] | MeltingPtC = −78 | MeltingPt_notes = [1] | BoilingPtC = 126.1 | BoilingPt_notes = at 760{{nbsp}}mmHg[1] | RefractIndex = 1.3941 (20{{nbsp}}°C)[1] | Viscosity = {{ubl | 1.002{{nbsp}}cP (0{{nbsp}}°C) | 0.685{{nbsp}}cP (25{{nbsp}}°C) | 0.5{{nbsp}}cP (50{{nbsp}}°C) | 0.305{{nbsp}}cP (100{{nbsp}}°C)[1] | VaporPressure = {{ubl | 0.1{{nbsp}}kPa (−19{{nbsp}}°C) | 1.66{{nbsp}}kPa (24{{nbsp}}°C)[1] | 44.5{{nbsp}}kPa (100{{nbsp}}°C)[9] | LogP = 1.82[1] | ThermalConductivity = {{ubl | 0.143{{nbsp}}W/m·K (0{{nbsp}}°C) | 0.136{{nbsp}}W/m·K (25{{nbsp}}°C) | 0.130{{nbsp}}W/m·K (50{{nbsp}}°C) | 0.116{{nbsp}}W/m·K (100{{nbsp}}°C)[1] | HenryConstant = 0.281{{nbsp}}L·atm/mol | MagSus = −77.47·10−6{{nbsp}}cm3/mol |Section3={{Chembox Structure | MolShape = | Dipole = 1.87 D (24 °C)[1] |Section4={{Chembox Thermochemistry | HeatCapacity = 225.11 J/mol·K[2] | Entropy = | DeltaHf = −609.6 kJ/mol[2] | DeltaGf = | DeltaHc = 3467 kJ/mol[2] |Section7={{Chembox Hazards | ExternalSDS = | MainHazards = Flammable | GHSPictograms = {{GHS02}}{{GHS07}}[3] | GHSSignalWord = Warning | HPhrases = {{H-phrases|226|336}}[3] | PPhrases = {{P-phrases|261}}[3] | NFPA-H = 2 | NFPA-F = 3 | NFPA-R = 0 | NFPA_ref = [4] | FlashPtC = 22 | FlashPt_ref = [4] | AutoignitionPtC = 370 | AutoignitionPt_ref = [4] | TLV-TWA = 150 ppm[1] | TLV-STEL = 200 ppm[1] | PEL = TWA 150 ppm (710 mg/m3)[4] | LD50 = 10768 mg/kg (rats, oral)[4] | REL = TWA 150 ppm (710 mg/m3) ST 200 ppm (950 mg/m3)[26] | IDLH = 1700 ppm[5] | LC50 = 160 ppm (rat, 4 hr) 2000 ppm (rat, 4 hr) 391 ppm (rat, 4 hr) 1242 ppm (mouse, 2 hr)[6] | LCLo = 14,079 ppm (cat, 72 min) 13,872 ppm (guinea pig, 4 hr)[6] |Section8={{Chembox Related | OtherFunction_label = acetates | OtherFunction = Ethyl acetate Propyl acetate Amyl acetate | OtherCompounds = Butanol }} n-Butyl acetate, also known as butyl ethanoate, is an ester that is a colorless, flammable liquid at room temperature. It is found in many types of fruit, where along with other chemicals, it imparts characteristic flavors and has a sweet smell of banana or apple. It is used as a synthetic fruit flavoring in foods such as candy, ice cream, cheeses, and baked goods. Butyl acetate is often used as a high-boiling solvent of moderate polarity. The other three isomers of butyl acetate are isobutyl acetate, tert-butyl acetate, and sec-butyl acetate. ProductionButyl acetates are commonly manufactured by the Fischer esterification of butanol (or its isomer to make an isomer of butyl acetate) and acetic acid with the presence of catalytic sulfuric acid under reflux conditions with this reaction:[7] Occurrence in natureApples, especially of the 'Red Delicious' variety, are flavored in part by this chemical. The alarm pheromones emitted by the Koschevnikov gland of honey bees contain butyl acetate. References1. ^1 2 3 4 5 6 7 8 9 10 11 12 {{CRC90}} 2. ^1 2 3 {{nist|name=Acetic acid, butyl ester|id=C123864|accessdate=2014-06-28|mask=FFFF|units=SI}} 3. ^1 2 {{Sigma-Aldrich|id=w217409|name=Butyl acetate|accessdate=2014-06-28}} 4. ^1 2 3 4 {{cite web|url = https://www.fishersci.ca/viewmsds.do?catNo=B3954|title = MSDS of n-Butyl acetate|website = fishersci.ca|accessdate = 2014-06-28|publisher = Fisher Scientific}} 5. ^1 {{PGCH|0072}} 6. ^1 {{IDLH|123864|n-Butyl acetate}} 7. ^Acetic acid. (2003). In Ullman's encyclopedia of industrial chemistry (6th ed., Vol. 1, pp. 170-171). Weinheim, Germany: Wiley-VCH. External links{{Commons category|Butyl acetate}}
4 : Ester solvents|Flavors|Acetate esters|Commodity chemicals |
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