| Revision as of 09:47, 21 January 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,049 edits Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: ChEMBL.← Previous edit |
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{{chembox |
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{{chembox |
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| verifiedrevid = 402201576 |
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|Reference=<ref name=Merck>''], 11th Edition'', 5374</ref> |
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| verifiedrevid = 409136052 |
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|ImageFile=Linalyl acetate.png |
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| Reference=<ref name=Merck>''The Merck Index'', '''15th Ed.''' (2013), p. 1022, Monograph '''5551''', O'Neil: The Royal Society of Chemistry. Available online at: http://www.rsc.org/Merck-Index/monograph/mono1500005551</ref> |
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|ImageSize=200px |
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| ImageFile = ] |
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|IUPACName=3,7-Dimethylocta-1,6-dien-3-yl acetate |
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| ImageFile2 = ] |
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|OtherNames=Bergamiol<br>Bergamol<br>Linalool acetate |
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| IUPACName=3,7-Dimethylocta-1,6-dien-3-yl acetate |
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| OtherNames=Bergamiol<br>Bergamol<br>Linalool acetate |
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|Section1={{Chembox Identifiers |
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|Section1={{Chembox Identifiers |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 13850082 |
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| ChemSpiderID = 13850082 |
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| InChI = 1/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 |
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| InChI = 1/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 |
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| InChIKey = UWKAYLJWKGQEPM-UHFFFAOYAM |
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| InChIKey = UWKAYLJWKGQEPM-UHFFFAOYAM |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 502773 |
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| ChEMBL = 502773 |
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| ChEBI_Ref = {{ebicite|changed|EBI}} |
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| ChEBI = 6469 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 |
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| StdInChI = 1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CASNo=115-95-7 |
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| CASNo=115-95-7 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| PubChem=8294 |
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| UNII = 5K47SSQ51G |
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| SMILES = C\C(C)=C\CCC(C)(C=C)OC(=O)C |
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| PubChem=8294 |
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| SMILES = C\C(C)=C\CCC(C)(C=C)OC(=O)C |
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|Section2={{Chembox Properties |
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|Section2={{Chembox Properties |
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| C=12 | H=20 | O=2 |
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| Formula=C<sub>12</sub>H<sub>20</sub>O<sub>2</sub> |
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| Appearance= Colorless liquid |
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| MolarMass=196.29 g/mol |
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| Density= 0.895 g/cm<sup>3</sup> |
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| Appearance= |
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| BoilingPtC=220 |
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| Density=0.895 |
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| Solubility=Insoluble |
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| MeltingPt= |
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| SolubleOther = Soluble |
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| BoilingPtC=220 |
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| Solvent = organic solvents |
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| Solubility=Insoluble |
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|Section3={{Chembox Hazards |
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|Section3={{Chembox Hazards |
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| MainHazards= |
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| FlashPtC = 69.6 |
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| FlashPt= |
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| AutoignitionPtC = |
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'''Linalyl acetate''' is a naturally-occurring ] found in many ] and ] plants. It is one of the principal components of the ]s of ] and ].<ref name=Merck/> Chemically, it is the ] ] of ], and the two often occur in conjunction. |
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'''Linalyl acetate''' is an ], the ] ] of ] and a ] found in many ] and ] plants. It is one of the principal components of the ]s of ] and ].<ref name=Merck/> It often occurs together with ] and is a widely used fragrance.<ref>{{cite book |doi=10.1002/0471238961.2005181602120504.a01.pub2|chapter=Terpenoids |title=Kirk-Othmer Encyclopedia of Chemical Technology |year=2006 |last1=Sell |first1=Charles S. |isbn=0471238961 }}</ref> |
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Synthetic linalyl acetate is sometimes used as an ] in essential oils to make them more marketable. For example, it may be added to lavandin oil which is then sold as more desirable ]. |
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The chemical tastes similar to how it smells with a pleasant fruity odor reminiscent of bergamot mint oil. It is found in ] and is mildly toxic to humans, toxic to fish, and extremely toxic to ]. Linalyl acetate is also combustible. |
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==Safety== |
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Linalyl acetate is found safe as a fragrance material under current levels of use.<ref>{{Cite journal|title=RIFM fragrance ingredient safety assessment, Linalyl acetate, CAS Registry Number 115-95-7|url=http://fragrancematerialsafetyresource.elsevier.com/sites/default/files/115-95-7.pdf|journal=Food and Chemical Toxicology|volume=82|year=2015|pages=S39–S48}}</ref> |
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== See also == |
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== See also == |
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==References== |
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==References== |
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