Methyl cyclohexanecarboxylate
Grundinformationen
- CAS
1215077-49-8- Standard-SMILES
COC(=O)C1CCCCC1- InChIKey
ZQWPRMPSCMSAJU-UHFFFAOYSA-N- Summenformel
- C8H14O2
- Durchschnittliche Molmasse
- 142,2 g/mol
Überblick
Methyl cyclohexanecarboxylate is a methyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with methanol. It has a role as a flavouring agent and a human metabolite. It is a volatile organic compound and a methyl ester. It is functionally related to a cyclohexanecarboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- Methyl cyclohexanecarboxylate
- IUPAC
- methyl cyclohexanecarboxylate
- Englischer Name
- Cyclohexanecarboxylic Acid Methyl Ester-d11
- Summenformel
- C8H14O2
- Molmasse
- 142.2
Namen und Synonyme
Methyl cyclohexanecarboxylate4630-82-4Methyl cyclohexanoateHexahydrobenzoic acid methyl esterCYCLOHEXANECARBOXYLIC ACID, METHYL ESTERMethyl cyclohexylcarboxylateMethyl cyclohexylformateMethyl hexahydrobenzoatevanilla carboxylateFEMA No. 3568BRN 130635996144H696Q
Weitere Namen anzeigen
Cyclohexanecarboxylic Acid Methyl Ester-d11
Methyl ester of cyclohexanecarboxylic acidDTXSID9074303CHEBI:88845FEMA 3568RefChem:1113279225-050-2Cyclohexanecarboxylic Acid Methyl EsterC8H14O2
Datenbank-Bezeichner
- CAS
1215077-49-8- ChEBI
CHEBI:88845- UNII
- 96144H696Q
- EC Number
- 225-050-2
- Nikkaji
- J45.101K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 114
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesDielectric constant
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.990-0.999
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; miscible in fat
Miscible at room temperature (in ethanol)
Boiling Point
183.00 °C. @ 760.00 mm Hg
183 °C
Refractive Index1.439-1.447
Physical Description
Clear colorless liquid; [Sigma-Aldrich MSDS]
Clear, colourless liquid; cheese-like odour
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 8.3% (11 of 133) of reports.
Warning
H226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 133 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexanecarboxylic acid, methyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclohexanecarboxylic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Sigma-Aldrich MSDS] See Cyclohexanecarboxylic acid.
Hazard Classes and CategoriesFlam. Liq. 3 (91.7%)
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
UsesUsed as a flavoring agent; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Anwendungen
VerwendenIsotope labelled analog of Cyclohexanecarboxylic Acid Methyl Ester (C984010), an odorant found in virgin olive oil and green olives
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter3 Anbieter
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
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