octyl acetate

{{chembox

| Verifiedfields = changed

| Watchedfields = changed

| verifiedrevid = 429359313

| Name = Octyl acetate

| ImageFile_Ref = {{chemboximage|correct|??}}

| ImageFile1 = Octyl acetate.svg

| ImageName1 = Skeletal formula of octyl acetate

| ImageName2 = Ball-and-stick model of the octyl acetate molecule

| ImageFile2 = Octyl-acetate-Mercury-3D-bs.png

| ImageSize2 = 200px

| ImageName3 = Space-filling model of the octyl acetate molecule

| ImageFile3 = Octyl-acetate-Mercury-3D-sf.png

| ImageSize3 = 200px

| PIN = Octyl acetate

| OtherNames = n-Octyl acetate

|Section1={{Chembox Identifiers

| CASNo = 112-14-1

| CASNo_Ref = {{cascite|correct|CAS}}

| UNII_Ref = {{fdacite|correct|FDA}}

| UNII = X0FN2J413S

| 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{{GESTIS|ZVG=101791}}{{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|url = http://www.williamandrew.com|access-date = 2020-04-23|archive-url = https://web.archive.org/web/20090302111340/http://williamandrew.com/|archive-date = 2009-03-02|url-status = dead}}

| 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){{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}}

| SolubleOther = Soluble in EtOH, ether

| MeltingPtC = -38.5--38

| MeltingPt_ref =

| BoilingPtC = 203-211.3

| BoilingPt_ref =
{{convert|112.55|C|F K}}
at 30 mmHg{{nist|name=Acetic acid, octyl ester|id=C112141|accessdate=2014-11-22|mask=FFFF|units=SI}}

| RefractIndex = 1.415–1.422 (20 °C){{cite web|title = Octyl acetate|url = http://chemdats.blogspot.com/2014/11/octyl-acetate.html|date = 2014-11-04|website=chemdats.blogspot.com|accessdate = 2014-11-15|url-status = dead|archiveurl = https://web.archive.org/web/20141225010747/http://chemdats.blogspot.com/2014/11/octyl-acetate.html|archivedate = 2014-12-25}}

| VaporPressure = 0.01 kPa (−3 °C)
0.0072–0.0073 (14.75 °C)
0.02–0.1 kPa (27 °C)
1 kPa (66.3 °C)
10 kPa (120 °C){{CRC90}}

}}

|Section6={{Chembox Thermochemistry

| HeatCapacity = 331–343.74 J/mol·K

}}

|Section7={{Chembox Hazards

| NFPA-H = 1

| NFPA-F = 2

| NFPA-R = 0

| NFPA_ref = {{cite web|url = https://www.fishersci.ca/viewmsds.do?catNo=AC310631000|title = MSDS of Octyl acetate|website=fishersci.ca|accessdate = 2014-09-15|publisher = Fisher Scientific}}

| FlashPtC = 83-86

| FlashPt_ref = {{Sigma-Aldrich|id=o5500|name=Octyl acetate|accessdate=2014-11-15}}

| AutoignitionPtC = 268-268.3

| AutoignitionPt_ref =

| LD50 = 3000 mg/kg (oral, rat){{cite journal|journal = Food and Cosmetics Toxicology|volume = 12|issue = 7–8|pages = 815–816|year = 1974|doi = 10.1016/0015-6264(74)90132-1|title = Fragrance raw materials monographs}}
5000 mg/kg (dermal, rabbit)

| ExploLimits = 0.76–8.14%

}}

}}

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.{{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}}

Octyl acetate can be synthesized by the Fischer esterification of 1-octanol and acetic acid:

:CH₃(CH₂)₇OH + CH₃CO₂H → CH₃(CH₂)₇O₂CCH₃ + H₂O