Methyl heptanoate

Methyl heptanoate
Names
	IUPAC name Methyl heptanoate
	Other names Methyl heptylate; Methyl enanthate; Methyl oenanthate; Heptanoic acid, methyl ester
Identifiers
CAS Number	106-73-0 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:88620;
ChemSpider	7538 ;
ECHA InfoCard	100.003.118
EC Number	203-428-8;
PubChem CID	7826;
UNII	1J543V5703;
CompTox Dashboard (EPA)	DTXSID3059345 ;
	InChI Key: XNCNNDVCAUWAIT-UHFFFAOYSA-N; InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3;
	SMILES CCCCCCC(=O)OC;
Properties
Chemical formula	C8H16O2
Molar mass	144.214 g·mol−1
Appearance	Colorless liquid
Density	0.880 g/cm3 (20 °C)
Melting point	−56 °C (−69 °F; 217 K)
Boiling point	171–172 °C (340–342 °F; 444–445 K)
Solubility in water	Insoluble in water
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226, H315
Precautionary statements	P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, P501
Flash point	52 °C (126 °F; 325 K)
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	> 5,000 mg/kg (oral, rat); > 5,000 mg/kg (dermal, rabbit)
Related compounds
Related compounds	Methyl formate; Methyl acetate; Methyl propionate; Methyl butyrate; Methyl pentanoate; Methyl hexanoate; Methyl octanoate; Methyl nonanoate; Methyl decanoate; Methyl laurate; Ethyl heptanoate;
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Methyl heptanoate is an organic compound with the chemical formula CH₃(CH₂)₅CO₂CH₃. It is the methyl ester of heptanoic acid (also known as enanthic acid). This fatty acid ester is a colorless, oily liquid with a fruity, wine-like odor that is used in the flavor and fragrance industries.^[1]

v t e Esters
Methyl esters	Methyl formate Methyl acetate Methyl propionate Methyl butyrate Methyl pentanoate Methyl hexanoate Methyl heptanoate 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

Occurrence and production

Names

IUPAC name Methyl heptanoate
Other names Methyl heptylate Methyl enanthate Methyl oenanthate Heptanoic acid, methyl ester
Identifiers
CAS Number	106-73-0^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:88620
ChemSpider	7538^Y
ECHA InfoCard	100.003.118
EC Number	203-428-8
PubChem CID	7826
UNII	1J543V5703
CompTox Dashboard (EPA)	DTXSID3059345
InChI Key: XNCNNDVCAUWAIT-UHFFFAOYSA-N InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
SMILES CCCCCCC(=O)OC
Properties
Chemical formula	C₈H₁₆O₂
Molar mass	144.214 g·mol⁻¹
Appearance	Colorless liquid^[1]
Density	0.880 g/cm³ (20 °C)^[1]
Melting point	−56 °C (−69 °F; 217 K)^[1]
Boiling point	171–172 °C (340–342 °F; 444–445 K)^[1]
Solubility in water	Insoluble in water^[1]
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226, H315
Precautionary statements	P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, P501
Flash point	52 °C (126 °F; 325 K)^[1]
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	> 5,000 mg/kg (oral, rat) > 5,000 mg/kg (dermal, rabbit)
Related compounds
Related compounds	Methyl formate Methyl acetate Methyl propionate Methyl butyrate Methyl pentanoate Methyl hexanoate Methyl octanoate Methyl nonanoate Methyl decanoate Methyl laurate Ethyl heptanoate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references