Grundinformationen
- CAS
7774-65-4- Standard-SMILES
CC1=CCC(C(C)(C)OC(=O)C(C)C)CC1- InChIKey
SMQUXKIIXFOJKI-UHFFFAOYSA-N- Summenformel
- C14H24O2
- Durchschnittliche Molmasse
- 224,34 g/mol
- Monoisotopische Masse
- 224,17763
Überblick
Terpinyl isobutyrate is a p-menthane monoterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- Terpinyl isobutyrate
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate
- Lokaler Name
- 1-Methyl-1-(4-methylcyclohex-3-enyl)ethylisobutyrat
- Englischer Name
- TERPINYL ISOBUTYRATE
- Summenformel
- C14H24O2
- Molmasse
- 224.34
Namen und Synonyme
Terpinyl isobutyrate7774-65-42-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoateFEMA No. 3050P-Menth-1-en-8-yl isobutyrate.alpha.-Terpinyl isobutyratealpha-terpinyl isobutyratePropanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl esterUNII-Z55SZR66DGEINECS 231-878-5Z55SZR66DGBRN 3129659
Weitere Namen anzeigen
FEMA 3050TERPINYL ISOBUTYRATE ALPHAPARA METHYL-1-EN-8-YL ISOBUTYRATETERPINYL ISOBUTYRATE 85+% MIXTURE OF &Terpinyl isobutyrate, mixture of isomers1-Methyl-1-(4-methylcyclohex-3-enyl)ethylisobutyrat1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate
p-menth-1-en-8-yl-isobutyrate1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate.alpha.-Terpinyl ester of isobutanoic acidDTXSID50864114TERPINYL ISOBUTYRATE [FHFI]2-06-00-00067 (Beilstein Handbook Reference)2-Methylpropanoic acid 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl esteralpha-Terpinyl ester of isobutanoic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 287
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Terpinyl isobutyrate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.931-0.942
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
insoluble in water; soluble in alcohols and oils
(in ethanol)
Boiling Point
242.00 °C. @ 760.00 mm Hg
242 °C
Refractive Index1.457-1.463
Physical Descriptionclear, colourless liquid
Physikochemische Eigenschaften
- Siedepunkt
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 7.3% (103 of 1413) of reports.
Warning
H315 (92.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1413 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (92.7%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- RTECS-Nr.
- UA2470450
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Household ProductsInformation on 1 consumer products that contain Terpinyl Isobutyrate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPropanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester: ACTIVE
Anwendungen
VerwendenTerpinyl isobutyrate finds a little use in perfume compositions of Rose, Lavender and Geranium types. It is particularly useful in soap perfumes because of its outstanding stability in alkaline media. Small amounts are used in various fruit flavor compositions, in concentrations equal to about 2 to 15 ppm in the finished products.
Darstellung
synthetischeBy esterification of terpineol with isobutyric acid
Anbieter12 Anbieter
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
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