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m Vituzzu moved page Allyl hexanoate (temp) to Allyl hexanoate over a redirect without leaving a redirect: revert
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Temperatures (melting, boiling, autoignite, flash) use convert tempalte to calculate. using AWB
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| verifiedrevid = 477314278
| verifiedrevid = 477314278
| ImageFile = Prop-2-enyl hexanoate.svg
| ImageFile = Prop-2-enyl hexanoate.svg
| ImageSize = 200px
| ImageSize =
| IUPACName = prop-2-enyl hexanoate
| IUPACName = prop-2-enyl hexanoate
| 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
| Section1 = {{Chembox Identifiers
|Section1={{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 29006
| ChemSpiderID = 29006
| 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
Line 18: Line 18:
| StdInChIKey = RCSBILYQLVXLJG-UHFFFAOYSA-N
| StdInChIKey = RCSBILYQLVXLJG-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|changed|??}}=
| CASNo_Ref = {{cascite|changed|??}}=
| CASNo = 123-68-2
| CASNo = 123-68-2
| PubChem = 31266
| PubChem = 31266
| SMILES = CCCCCC(OCC=C)=O
| SMILES = CCCCCC(OCC=C)=O
| EINECS = 204-642-4
| EINECS = 204-642-4
}}
}}
| Section2 = {{Chembox Properties
|Section2={{Chembox Properties
| C=9|H=16|O=2
| C =9|H=16|O=2
| Appearance = Colorless to pale yellow clear liquid<ref name=thegoodscentscompany>[http://www.thegoodscentscompany.com/data/rw1000731.html Allyl hexanoate] at The Good Scents Company</ref>
| Appearance = Colorless to pale yellow clear liquid<ref name=thegoodscentscompany>[http://www.thegoodscentscompany.com/data/rw1000731.html Allyl hexanoate] at The Good Scents Company</ref>
| Density = 0.887 g/mL<ref name=Aldrich>[http://www.sigmaaldrich.com/catalog/product/aldrich/w203203?lang=en&region=US Allyl caproate] at [[Sigma-Aldrich]]</ref><br>0.884-0.892 g/mL<ref name=thegoodscentscompany/>
| Density = 0.887 g/mL<ref name=Aldrich>[http://www.sigmaaldrich.com/catalog/product/aldrich/w203203?lang=en&region=US Allyl caproate] at [[Sigma-Aldrich]]</ref><br>0.884-0.892 g/mL<ref name=thegoodscentscompany/>
| MeltingPt =
| MeltingPt =
| BoilingPtC = 190 to 191
| BoilingPt = 190-191 °C<ref name=thegoodscentscompany/><br>75-76 °C (15 mmHg)<ref name=Aldrich/>
| Boiling_ref = <ref name=thegoodscentscompany/><br>75-76 °C (15 mmHg)<ref name=Aldrich/>
| Solubility = Insoluble<ref name=thegoodscentscompany/>
| Solubility = Insoluble<ref name=thegoodscentscompany/>
}}
}}
| Section3 = {{Chembox Hazards
|Section3={{Chembox Hazards
| MainHazards =
| MainHazards =
| FlashPtC = 66
| FlashPt = 66 °C<ref name=thegoodscentscompany/>
| Flash_notes = <ref name=thegoodscentscompany/>
| Autoignition =
| RPhrases = {{R22}} {{R24}} {{R51/53}}
| AutoignitionPt =
| RPhrases = {{R22}} {{R24}} {{R51/53}}
| SPhrases = {{S2}} {{S26}} {{S36/37/39}} {{S45}} {{S61}}
| SPhrases = {{S2}} {{S26}} {{S36/37/39}} {{S45}} {{S61}}
}}
}}
}}
}}

Revision as of 02:06, 28 November 2014

Allyl hexanoate
Names
IUPAC name
prop-2-enyl hexanoate
Other names
Allyl caproate; Allyl n-caproate; 2-Propenyl n-hexanoate; Hexanoic acid, 2-propenyl ester
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.004.222 Edit this at Wikidata
EC Number
  • 204-642-4
  • InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 checkY
    Key: RCSBILYQLVXLJG-UHFFFAOYSA-N checkY
  • InChI=1/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
    Key: RCSBILYQLVXLJG-UHFFFAOYAX
  • CCCCCC(OCC=C)=O
  • O=C(OCC=C)CCCCC
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 to 191 °C (374 to 376 °F; 463 to 464 K)
Insoluble[1]
Hazards
Flash point 66 °C (151 °F; 339 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)

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. It is also used as an additive to cigarettes.

References

  1. ^ a b c d e f Allyl hexanoate at The Good Scents Company
  2. ^ a b Allyl caproate at Sigma-Aldrich
source: https://en.wikipedia.org/w/index.php?title=Allyl_hexanoate&diff=prev&oldid=635717508

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