ChemicalBook CAS DataBase List 106-73-0

106-73-0

Name	Methyl heptanoate
CAS	106-73-0
EINECS(EC#)	203-428-8
Molecular Formula	C8H16O2
MDL Number	MFCD00009537
Molecular Weight	144.21
MOL File	106-73-0.mol

Synonyms

C7:0 FATTY ACID METHYL ESTER ENANTHIC ACID METHYL ESTER ENANTIC ACID METHYL ESTER FEMA 2705 HEPTANOIC ACID METHYL ESTER METHYL ENANTHATE METHYL HEPTANOATE METHYL HEPTOATE METHYL HEPTYLATE METHYL N-HEPTANOATE N-HEPTANOIC ACID METHYL ESTER RARECHEM AL BF 0165 Methyl ester of heptanoic acid Methyl n-heptylate Methyl oenanthylate methyln-heptylate Methyloenanthate methyloenanthylate oenanthicacid,methylester Heptanoic acid methyl ester~Methyl enanthate

Chemical Properties

Appearance	clear colorless liquid
Melting point	-56°C
Boiling point	172-173 °C(lit.)
density	0.87 g/mL at 25 °C(lit.)
FEMA	2705
refractive index	n20/D 1.411(lit.)
Fp	127 °F
storage temp.	room temp
solubility	Chloroform: soluble; Ethanol: soluble; Ethyl ether: soluble
form	Liquid
color	Colorless to Light yellow
Odor	at 100.00 %. sweet fruit green orris waxy floral berry
biological source	synthetic
Odor Type	fruity
Specific Heat Capacity	Cp(liquid):285.1J/(g·K),at 25℃
JECFA Number	167
BRN	1747147
Henry's Law Constant	1.8×10^-2 mol/(m³Pa) at 25℃, Plyasunov et al. (2004)
Dielectric constant	4.3600000000000003
Major Application	cleaning products cosmetics flavors and fragrances food and beverages personal care
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
InChIKey	XNCNNDVCAUWAIT-UHFFFAOYSA-N
SMILES	CCCCCCC(=O)OC
LogP	2.83
CAS DataBase Reference	106-73-0(CAS DataBase Reference)
NIST Chemistry Reference	Heptanoic acid, methyl ester(106-73-0)
EPA Substance Registry System	106-73-0(EPA Substance)

Safety Data

Symbol(GHS)	GHS02
Signal word	Warning
Hazard statements	H226
Precautionary statements	P210-P370+P378
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S16:Keep away from sources of ignition-No smoking . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
RIDADR	UN 3272 3/PG 3
WGK Germany	2
RTECS	MJ2297500
TSCA	TSCA listed
HS Code	2915 90 70
HazardClass	3.2
PackingGroup	III
Storage Class	3 - Flammable liquids
Hazard Classifications	Flam. Liq. 3
Toxicity	LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg less more

Raw materials And Preparation Products

Hazard Information

Description

Methyl heptanoate has a strong, almost fruity, orris-like odor with a currant-like flavor. Methyl heptanoate may be prepared by treating heptanoic acid with methyl alcohol in the presence of HCL or H2SO4.

Chemical Properties

clear colorless liquid

Chemical Properties

Methyl heptanoate has a strong, almost fruity, orris-like odor and currant-like flavor.

Occurrence

Reported found in cranberry, papaya, pineapple, blackberry, strawberry, peas, pepper, Parmesan cheese, hop oil, white wine, olive, starfruit, malt, Bourbon vanilla, mountain papaya, endive, nectarine, lanb’s lettuce, mussel, spineless monkey orange and rooibus tea (Aspalathus linearis)

Uses

Methyl heptanoate may be used as an external standard for the extraction and quantification of aroma compounds in stratch matrices using gas chromatography technique.

Uses

Heptanoic Acid Methyl Ester is an aroma and flavor constituent in MD2 pineapple variety (Ananas comosus [L.] Merr.)

Definition

ChEBI:Methyl heptanoate is a fatty acid ester.

Preparation

By treating heptanoic acid with methyl alcohol in the presence of HCl or H2SO4

Aroma threshold values

Detection: 4 ppb

Taste threshold values

Taste characteristics at 35 ppm: sweet fruity and green

Synthesis Reference(s)

Canadian Journal of Chemistry, 52, p. 3651, 1974 DOI: 10.1139/v74-546
Journal of the American Chemical Society, 95, p. 1296, 1973 DOI: 10.1021/ja00785a047
Tetrahedron Letters, 29, p. 3833, 1988 DOI: 10.1016/S0040-4039(00)82127-9

General Description

Methyl heptanoate has been identified in pineapple, Hardy kiwifruit and salak fruit.

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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