Ethyl heptanoate: Difference between revisions

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Revision as of 10:25, 3 April 2011 editCheMoBot (talk \| contribs)Bots141,565 edits Updating {{chembox}} (no changed fields - added verified revid - updated 'UNII_Ref', 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref', 'ChEMBL_Ref', 'KEGG_Ref') per Chem/Drugbox validation (← Previous edit		Latest revision as of 20:33, 23 February 2024 edit undoChem Sim 2001 (talk \| contribs)Extended confirmed users576 edits new chemical structure drawn according to MoS (thinner bonds)
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	{{chembox		{{chembox
			\| Verifiedfields = changed
⚫	\| verifiedrevid = ~~408148075~~
			\| Watchedfields = changed
⚫	\| Name = Ethyl heptanoate
		⚫	\| verifiedrevid = 422120797
	\| ImageFile = Ethyl_heptanoate.png
		⚫	\| Name = Ethyl heptanoate
	<!-- \| ImageSize = 200px -->
	\| ~~ImageName~~ = Ethyl heptanoate		\| ImageFile = Ethyl-heptanoate-2D-skeletal.svg

	\| ~~IUPACName~~ = Ethyl heptanoate		\| ImageName = Ethyl heptanoate
⚫	\| OtherNames = ~~Ethyl~~ ~~enanthate,~~ <br />Ethyl ~~heptylate,~~ <br />~~Heptanoic~~ ~~acid ethyl ester,~~<br />Enanthic acid ethyl ester
			\| PIN = Ethyl heptanoate
⚫	\| Section1 = {{Chembox Identifiers
		⚫	\| OtherNames = Heptanoic acid ethyl ester<br />Ethyl enanthate<br />Ethyl heptylate<br />Enanthic acid ethyl ester
⚫	\| CASNo = 106-30-9
		⚫	\|Section1={{Chembox Identifiers
⚫	\| SMILES = CCCCCCC(OCC)=O
			\| CASNo_Ref = {{cascite\|correct\|??}}
⚫	}}
		⚫	\| CASNo = 106-30-9
⚫	\| Section2 = {{Chembox Properties
			\| UNII_Ref = {{fdacite\|changed\|FDA}}
	\| Formula = C<sub>9</sub>H<sub>18</sub>O<sub>2</sub>
			\| UNII = 45R404Y5X8
	\| MolarMass = 158.27 g/mol
		⚫	\| SMILES = CCCCCCC(OCC)=O
⚫	\| Density = 0.860 g/cm<sup>3</sup>
	\| ~~MeltingPt~~ = ~~-66 °C~~		\| PubChem = 7797
			\| ChemSpiderID_Ref = {{chemspidercite\|changed\|chemspider}}
	\| BoilingPt = 188-189 °C
			\| ChemSpiderID = 7509
			\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
			\| ChEBI = 86618
			\| InChI = 1/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
			\| InChIKey = TVQGDYNRXLTQAP-UHFFFAOYAW
			\| StdInChI_Ref = {{stdinchicite\|changed\|chemspider}}
			\| StdInChI = 1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
			\| StdInChIKey_Ref = {{stdinchicite\|changed\|chemspider}}
			\| StdInChIKey = TVQGDYNRXLTQAP-UHFFFAOYSA-N
	}}		}}
		⚫	\|Section2={{Chembox Properties
			\| C=9 \| H=18 \| O=2
			\| Odor = Grape
		⚫	\| Density = 0.860 g/cm<sup>3</sup>
			\| MeltingPtC = −66
			\| BoilingPtC = 188 to 189
			\| BoilingPt_notes =
		⚫	}}
	}}		}}

	'''Ethyl heptanoate''' is the ] resulting from the condensation of ] and ]. It is used in the flavor industry because of its odor that is similar to grape.		'''Ethyl heptanoate''' is the ] resulting from the condensation of ] and ]. It is used in the flavor industry because of its odor that is similar to grape.<ref></ref>

	==References==		==References==
	{{unreferenced\|date =September 2007}}
	<references/>		<references/>

			{{Esters}}
	==External links==
	*

		⚫	]
	]		]
⚫	]
	]		]


	{{ester-stub}}		{{ester-stub}}

	]
	]
	]
	]

Latest revision as of 20:33, 23 February 2024

Ethyl heptanoate
Names

Preferred IUPAC name Ethyl heptanoate
Other names Heptanoic acid ethyl ester Ethyl enanthate Ethyl heptylate Enanthic acid ethyl ester
Identifiers
CAS Number	106-30-9
3D model (JSmol)	Interactive image
ChEBI	CHEBI:86618
ChemSpider	7509
ECHA InfoCard	100.003.076
PubChem CID	7797
UNII	45R404Y5X8
CompTox Dashboard (EPA)	DTXSID1040112
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3Key: TVQGDYNRXLTQAP-UHFFFAOYSA-N InChI=1/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3Key: TVQGDYNRXLTQAP-UHFFFAOYAW
SMILES CCCCCCC(OCC)=O
Properties
Chemical formula	C₉H₁₈O₂
Molar mass	158.241 g·mol
Odor	Grape
Density	0.860 g/cm
Melting point	−66 °C (−87 °F; 207 K)
Boiling point	188 to 189 °C (370 to 372 °F; 461 to 462 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Chemical compound

Ethyl heptanoate is the ester resulting from the condensation of heptanoic acid and ethanol. It is used in the flavor industry because of its odor that is similar to grape.

References

Ethyl heptanoate

v t e Esters
Methyl esters	Methyl formate Methyl acetate Methyl propionate Methyl butyrate Methyl pentanoate Methyl hexanoate Methyl benzoate
Ethyl esters	Ethyl formate Ethyl acetate Ethyl propionate Ethyl butyrate Ethyl pentanoate Ethyl hexanoate Ethyl heptanoate Ethyl octanoate Ethyl decanoate Ethyl palmitate Ethyl benzoate
Propyl esters	Propyl acetate Propyl propanoate Propyl benzoate Isopropyl acetate Isopropyl palmitate
Butyl esters	Butyl acetate Butyl butyrate Isobutyl acetate sec-Butyl acetate tert-Butyl acetate
Amyl esters	Amyl acetate Pentyl propanoate Pentyl butyrate Pentyl pentanoate Pentyl hexanoate Isoamyl formate Isoamyl acetate Sec-Amyl acetate
Hexyl esters	Hexyl acetate
Phenyl esters	Phenyl acetate
Heptyl esters	Heptyl acetate Heptyl butyrate
Benzyl esters	Benzyl acetate Benzyl benzoate

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