Methyl heptanoate

Methyl heptanoate Basic information

Product Name:	Methyl heptanoate
Synonyms:	METHYL HEPTANOATE 99+%;METHYL HEPTANOATE 99+% NATURAL;METHYL ENANTHATE OEKANAL;METHYL HEPTANOATE, STANDARD FOR GC;METHYLHEPTANOATE(SG);ENANTHIC ACID METHYL ESTER: 99.5%;Natural Methyl Heptanoate;METHYL HEPTOATE, NATURAL
CAS:	106-73-0
MF:	C8H16O2
MW:	144.21
EINECS:	203-428-8
Product Categories:	Analytical Chemistry;Fatty Acid Methyl Esters (GC Standard);Standard Materials for GC
Mol File:	106-73-0.mol

Methyl heptanoate Chemical Properties

Melting point	-56°C
Boiling point	172-173 °C(lit.)
density	0.87 g/mL at 25 °C(lit.)
FEMA	2705 \| METHYL HEPTANOATE
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
Odor Type	fruity
JECFA Number	167
BRN	1747147
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	Methyl heptanoate (106-73-0)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	16-26-36
RIDADR	UN 3272 3/PG 3
WGK Germany	2
RTECS	MJ2297500
HS Code	2915 90 70
HazardClass	3.2
PackingGroup	III
Toxicity	LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

MSDS Information

Provider	Language
SigmaAldrich	English
ACROS	English

Methyl heptanoate Usage And Synthesis

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	Methyl heptanoate has a strong, almost fruity, orris-like odor and currant-like flavor.
Chemical Properties	clear colorless liquid
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	Heptanoic Acid Methyl Ester is an aroma and flavor constituent in MD2 pineapple variety (Ananas comosus [L.] Merr.)
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.
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.

Methyl heptanoate Preparation Products And Raw materials

Raw materials	HEXYLMERCURYBROMIDE-->Heptanoic acid, 2-bromo-, methyl ester-->METHYL 2-METHYLHEXANOATE-->Methyl-6-methylheptanoate-->METHYL 10-METHYLUNDECANOATE-->METHYL UNDECANOATE-->Methyl decanoate-->Caprylic acid methyl ester-->Dimethyl adipate-->Methanol
Preparation Products	Misoprostol-->methyl 3-(2-chloro-3，3，3-trifluoro-1-propenyl)-2，2-di-methyl-cyclopropane carboxylate-->TRANS-3-HEXENE-->heptyl heptanoate

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