| 词条 | Octyl acetate |
| 释义 |
| Verifiedfields = changed | Watchedfields = changed | verifiedrevid = 429359313 | Name = Octyl acetate | ImageFile_Ref = {{chemboximage|correct|??}} | ImageFile = Octyl acetate.svg | ImageName = Skeletal formula of octyl acetate | IUPACName = Octyl acetate | OtherNames = Octyl ethanoate n-Octyl acetate |Section1={{Chembox Identifiers | CASNo = 112-14-1 | CASNo_Ref = {{cascite|correct|CAS}} | ChemSpiderID = 7872 | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | PubChem = 8164 | ChEBI_Ref = {{ebicite|changed|EBI}} | ChEBI = 87495 | InChI = 1/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3 | InChIKey = YLYBTZIQSIBWLI-UHFFFAOYAX | StdInChI = 1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3 | StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey = YLYBTZIQSIBWLI-UHFFFAOYSA-N | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | RTECS = AJ1400000 | SMILES = O=C(OCCCCCCCC)C |Section2={{Chembox Properties | C=10 | H=20 | O=2 | Appearance = Colorless liquid | Odor = Fruity, slightly waxy floral odor | Density = 0.863–0.87 g/cm3[1][2] | Solubility = 0.021 g/100 g (0 °C) 0.018 g/100 g (29.7 °C) 0.018 g/100 g (40 °C) 0.012 g/100 g (92.1 °C)[3] | SolubleOther = Soluble in EtOH, ether | MeltingPtC = -38.5--38 | MeltingPt_ref = [1][2] | BoilingPtC = 203-211.3 | BoilingPt_ref = [1][2] {{convert|112.55|C|F K}} at 30 mmHg[8][4] | RefractIndex = 1.415–1.422 (20 °C)[5] | VaporPressure = 0.01 kPa (−3 °C) 0.0072–0.0073 (14.75 °C) 0.02–0.1 kPa (27 °C)[5] 1 kPa (66.3 °C) 10 kPa (120 °C)[6] |Section6={{Chembox Thermochemistry | HeatCapacity = 331–343.74 J/mol·K[4] }} |Section7={{Chembox Hazards | NFPA-H = 1 | NFPA-F = 2 | NFPA-R = 0 | NFPA_ref = [7] | FlashPtC = 83-86 | FlashPt_ref = [1][7][8] | AutoignitionPtC = 268-268.3 | AutoignitionPt_ref = [7][8] | LD50 = 3000 mg/kg (oral, rat)[9] 5000 mg/kg (dermal, rabbit)[9] | ExploLimits = 0.76–8.14%[7][8] }}Octyl acetate, or octyl ethanoate, is an organic compound with the formula CH3(CH2)7O2CCH3. It is classified as an ester that is formed from 1-octanol (octyl alcohol) and acetic acid. It is found in oranges, grapefruits, and other citrus products.[10] Octyl acetate can be synthesized by a condensation of 1-octanol and acetic acid: CH3(CH2)7OH + CH3CO2H → CH3(CH2)7O2CCH3 + H2O UsesBecause of its fruity odor,[11] octyl acetate is used as the basis for artificial flavors and in perfumery. It is also a solvent for nitrocellulose, waxes, oils, and some resins. References1. ^1 2 3 {{GESTIS|ZVG=101791}} 2. ^1 2 {{cite book|title = Thermophysical Properties of Chemicals and Hydrocarbons|last = Yaws|first = Carl L.|year = 2008|lccn = 2008020146|isbn = 978-0-8155-1596-8|publisher = William Andrew, Inc.|place = New York|website = http://www.williamandrew.com}} 3. ^{{cite journal|title = Mutual Solubilities: Water-Ketones, Water-Ethers, and Water-Gasoline-Alcohols|first = Richard M.|last = Stephenson|journal = Journal of Chemical & Engineering Data|year = 1992|volume = 37|pages = 80–95|doi = 10.1021/je00005a024|issue = 1}} 4. ^1 {{nist|name=Acetic acid, octyl ester|id=C112141|accessdate=2014-11-22|mask=FFFF|units=SI}} 5. ^1 2 {{cite web|title = Octyl acetate|url = http://chemdats.blogspot.com/2014/11/octyl-acetate.html|date = 2014-11-04|website = http://chemdats.blogspot.com|accessdate = 2014-11-15|deadurl = yes|archiveurl = https://web.archive.org/web/20141225010747/http://chemdats.blogspot.com/2014/11/octyl-acetate.html|archivedate = 2014-12-25|df = }} 6. ^{{CRC90}} 7. ^1 2 3 {{cite web|url = https://www.fishersci.ca/viewmsds.do?catNo=AC310631000|title = MSDS of Octyl acetate|website = http://www.fishersci.ca|accessdate = 2014-09-15|publisher = Fisher Scientific}} 8. ^1 2 {{Sigma-Aldrich|id=o5500|name=Octyl acetate|accessdate=2014-11-15}} 9. ^1 {{cite journal|journal = Food and Cosmetics Toxicology|volume = 12|pages = 815|year = 1974}} 10. ^{{cite book |doi=10.1002/14356007.a11_141 |chapter=Flavors and Fragrances |title=Ullmann's Encyclopedia of Industrial Chemistry |year=2003 |last1=Fahlbusch |first1=Karl-Georg |last2=Hammerschmidt |first2=Franz-Josef |last3=Panten |first3=Johannes |last4=Pickenhagen |first4=Wilhelm |last5=Schatkowski |first5=Dietmar |last6=Bauer |first6=Kurt |last7=Garbe |first7=Dorothea |last8=Surburg |first8=Horst |isbn=978-3-527-30673-2}} 11. ^{{cite book|title = Classifying Aroma Chemicals|last = Brechbill|first = Glen O.|year = 2007|publisher = Fragrance Books, Inc.|place = New Jersey, USA|website = http://www.perfumerbook.com|page = 6}} 1 : Acetate esters |
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