propyl acetate
{{chembox
| Verifiedfields = changed
| Watchedfields = changed
| verifiedrevid = 464216999
| Name = Propyl acetate
| ImageFile_Ref = {{chemboximage|correct|??}}
| ImageFile1 = Propyl-acetate-2D-skeletal.svg
| ImageAlt1 = Skeletal formula of propyl acetate
| ImageSize1 = 150px
| ImageFile2 = Propyl acetate 3D ball.png
| ImageSize2 = 150px
| ImageAlt2 = Ball-and-stick model of the propyl acetate molecule
| PIN = Propyl acetate
| SystematicName = Propyl ethanoate
| OtherNames = Acetic acid propyl ester
n-Propyl ethanoate
n-Propyl acetate
n-Propyl ester of acetic acid
|Section1={{Chembox Identifiers
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 109-60-4
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 40116
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 44857
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 7706
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB01670
| EC_number = 203-686-1
| PubChem = 7997
| RTECS = AJ3675000
| UNNumber = 1276
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 4AWM8C91G6
| SMILES = O=C(OCCC)C
| InChI = 1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
| InChIKey = YKYONYBAUNKHLG-UHFFFAOYAC
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = YKYONYBAUNKHLG-UHFFFAOYSA-N
}}
|Section2={{Chembox Properties
| C=5 | H=10 | O=2
| Appearance = Colorless liquid
| Density = 0.89{{nbsp}}g/cm3{{GESTIS|ZVG=33670}}
| MeltingPtC = −95
| BoilingPtC = 102
| Solubility = 18.9{{nbsp}}g/L
| VaporPressure = 25{{nbsp}}mmHg (20{{nbsp}}°C)
| MagSus = −65.91·10−6 cm3/mol
}}
|Section7={{Chembox Hazards
| ExternalSDS =
| NFPA-H = 2
| NFPA-F = 3
| NFPA-R = 2
| GHSPictograms = {{GHS02}}{{GHS07}}
| GHSSignalWord = Danger
| HPhrases = {{H-phrases|225|319|336}}
| PPhrases = {{P-phrases|210|233|240|241|242|243|261|264|271|280|303+361+353|304+340|305+351+338|312|337+313|370+378|403+233|403+235|405|501}}
| FlashPtC = 10
| AutoignitionPtC = 450
| LD50 = 9370{{nbsp}}mg/kg (oral, rat)
8300{{nbsp}}mg/kg (oral, mouse)
6640{{nbsp}}mg/kg (oral, rabbit)
8700{{nbsp}}mg/kg (oral, rat){{IDLH|109604|n-Propyl acetate}}
17800{{nbsp}}mg/kg (dermal, rabbit)Union Carbide Data Sheet. Vol. 1/25/1965
| IDLH = 1700 ppm{{PGCH|0532}}
| REL = TWA 200{{nbsp}}ppm (840{{nbsp}}mg/m3) ST 250{{nbsp}}ppm (1050{{nbsp}}mg/m3)
| PEL = TWA 200{{nbsp}}ppm (840{{nbsp}}mg/m3)
| LCLo = 8941{{nbsp}}ppm (cat, 5{{nbsp}}hr){{IDLH|109604|n-Propyl acetate}}
}}
|Section8={{Chembox Related
| OtherFunction_label = esters
| OtherFunction = Ethyl acetate
Isopropyl acetate
n-butyl acetate
Isobutyl acetate
| OtherCompounds = Propan-1-ol
Acetic acid
}}
}}
Propyl acetate, also known as propyl ethanoate, is an organic compound. Nearly 20,000 tons are produced annually for use as a solvent. This colorless liquid is known by its characteristic odor of pears. Due to this fact, it is commonly used in fragrances and as a flavor additive. It is formed by the esterification of acetic acid and propan-1-ol, often via Fischer–Speier esterification, with sulfuric acid as a catalyst and water produced as a byproduct.{{Citation |last=Papa |first=Anthony J. |title=Propanols |date=2011-10-15 |url=https://doi.org/10.1002/14356007.a22_173.pub2 |work=Ullmann's Encyclopedia of Industrial Chemistry |place=Weinheim, Germany |publisher=Wiley-VCH Verlag GmbH & Co. KGaA |doi=10.1002/14356007.a22_173.pub2 |access-date=2022-03-29}}
References
{{reflist}}
External links
- [https://www.cdc.gov/niosh/npg/npgd0532.html NIOSH Pocket Guide to Chemical Hazards]
- [https://web.archive.org/web/20060327175400/http://www.cdc.gov/niosh/rtecs/aj381378.html Acetic acid, propyl ester] - Toxicity Data
- [https://web.archive.org/web/20061015032626/https://www.mathesontrigas.com/pdfs/msds/MAT16000.pdf N-Propyl Acetate MSDS]
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