Methylheptanoat

Methyl heptanoate

HCID 7826CAS 106-73-0
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Grundinformationen

Standard-SMILES
CCCCCCC(=O)OC
InChIKey
XNCNNDVCAUWAIT-UHFFFAOYSA-N
Summenformel
C8H16O2
Durchschnittliche Molmasse
144,21 g/mol
Monoisotopische Masse
144,11502975

Überblick

Methyl heptanoate is a fatty acid ester.

Namen und Bezeichner

Bevorzugter Name
Methyl heptanoate
IUPAC
methyl heptanoate
Lokaler Name
Methylheptanoat
Englischer Name
Methyl heptanoate
Summenformel
C8H16O2
Molmasse
144.21

Namen und Synonyme

METHYL HEPTANOATE106-73-0Methyl enanthateHeptanoic acid methyl esterHeptanoic acid, methyl esterMethyl n-heptylateMethyl heptoateMethyl oenanthylateMethyl heptylateMethyl n-heptanoateEnanthic Acid Methyl EsterFEMA No. 2705
Weitere Namen anzeigen
FEMA 2705MethyloenanthateHEPTANOIC METHYLmethyln-heptylatemethyloenanthylate
MFCD00009537Heptanoic acid-methyl esterMethyl ester of heptanoic acidMethyl Heptanoate(Heptanoic Acid Methyl Ester)1J543V5703Methyl heptylate (natural)Enanthic acid methylEINECS 203-428-8

Datenbank-Bezeichner

CAS
106-73-0
PubChem CID
7826
DTXSID
DTXSID3059345
ChEBI
CHEBI:88620
UNII
1J543V5703
EC Number
203-428-8
Nikkaji
J388C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
6
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Methyl heptanoate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.87115 (20 °C)

Physikochemische Eigenschaften

Schmelzpunkt
-56 °C · -56°C
Siedepunkt
172 · 172-173 °C(lit.)
Dichte
0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.411(lit.)
FEMA
2705 · 2705 | METHYL HEPTANOATE
Flammpunkt
127 °F · 127 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1450) of reports.

Warning

H226 (11.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1450 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Heptanoic acid, methyl ester

Heptanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Heptanoic acid, methyl ester: Environment tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (11.2%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 3272 3/PG 3
hs_code
2915 90 70
RTECS-Nr.
MJ2297500
risk_code
36/37/38

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

UsesUsed as a flavoring agent; [FDA]
Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationHeptanoic acid, methyl ester: ACTIVE
Anwendungen · 3 Einträge

BeschreibungMethyl 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.

OccurrenceReported 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)

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

Darstellung

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

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