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Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1->InChI StdInChI StdInChIKey. |
Updating {{chembox}} (no changed fields - added verified revid - updated 'UNII_Ref', 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref') per Chem/Drugbox validation (report [[Wikipedia_talk:Wi |
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| verifiedrevid = |
| verifiedrevid = 399495112 |
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| ImageFile = Prop-2-enyl hexanoate.png |
| ImageFile = Prop-2-enyl hexanoate.png |
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| ImageSize = 200px |
| ImageSize = 200px |
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| OtherNames = Allyl caproate; Allyl ''n''-caproate; 2-Propenyl ''n''-hexanoate; Hexanoic acid, 2-propenyl ester |
| OtherNames = Allyl caproate; Allyl ''n''-caproate; 2-Propenyl ''n''-hexanoate; Hexanoic acid, 2-propenyl ester |
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| Section1 = {{Chembox Identifiers |
| Section1 = {{Chembox Identifiers |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 29006 |
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| InChI = 1/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 |
| InChI = 1/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 |
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| InChIKey = RCSBILYQLVXLJG-UHFFFAOYAX |
| InChIKey = RCSBILYQLVXLJG-UHFFFAOYAX |
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| SMILES1 = O=C(OC\C=C)CCCCC |
| SMILES1 = O=C(OC\C=C)CCCCC |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 |
| StdInChI = 1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = RCSBILYQLVXLJG-UHFFFAOYSA-N |
| StdInChIKey = RCSBILYQLVXLJG-UHFFFAOYSA-N |
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| CASNo_Ref = |
| CASNo_Ref = |
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Revision as of 10:33, 29 November 2010
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| Names | |
|---|---|
| IUPAC name
prop-2-enyl hexanoate
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| Other names
Allyl caproate; Allyl n-caproate; 2-Propenyl n-hexanoate; Hexanoic acid, 2-propenyl ester
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| Identifiers | |
3D model (JSmol)
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| ChemSpider | |
| ECHA InfoCard | 100.004.222 |
| EC Number |
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PubChem CID
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CompTox Dashboard (EPA)
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| Properties | |
| C9H16O2 | |
| Molar mass | 156.225 g·mol−1 |
| Appearance | Colorless to pale yellow clear liquid[1] |
| Density | 0.887 g/mL[2] 0.884-0.892 g/mL[1] |
| Boiling point | 190-191 °C[1] 75-76 °C (15 mmHg)[2] |
| Insoluble[1] | |
| Hazards | |
| Flash point | 66 °C[1] |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Allyl hexanoate is a colorless to pale yellow clear liquid.
Uses
Allyl hexanoate is employed principally in the formulation of pineapple flavors but it can also be used for peach and apricot essences and for apple blossom, peach blossom, and wisteria perfume compositions.[1] Allyl caproate is an ingredient of some lipstick perfumes. It also adds a sweet juicy note to citrus flavors.
References
- ^ a b c d e f Allyl hexanoate at The Good Scents Company
- ^ a b Allyl caproate at Sigma-Aldrich