Grundinformationen
- Standard-SMILES
CCOC(=O)CC1(C)OCCO1- InChIKey
XWEOGMYZFCHQNT-UHFFFAOYSA-N- Summenformel
- C8H14O4
- Durchschnittliche Molmasse
- 174,19 g/mol
- Monoisotopische Masse
- 174,08920893
Namen und Bezeichner
- Bevorzugter Name
- Ethyl acetoacetate ethyleneglycol ketal
- IUPAC
- ethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate
- Lokaler Name
- Ethyl-2-methyl-1,3-dioxolan-2-acetat
- Englischer Name
- Fructone
- Summenformel
- C8H14O4
- Molmasse
- 174.19
Namen und Synonyme
6413-10-1Fructone1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl esterEthyl 2-methyl-1,3-dioxolane-2-acetateEthyl acetoacetate ethylene ketalEthyl acetoacetate 3-ethylene acetalEthyl 3-oxobutyrate ethylene ketalEthyl acetoacetate ethyleneglycol ketalG5EXI4NID0APPLINALNSC 6537BRN 0130164
Weitere Namen anzeigen
Ethyl acetoacetate ethylene acetalJasmaprunat2-(2-methyl-1,3-dioxolan-2-yl)acetic acid ethyl esterEthylfruitatETHYL-2-METHYL-1,3-DIOXOLANE-2-ACETATEETHYLACETOACETATEETHYLENEGLYCOL-ACETALETHYL 2-(2-METHYL-1,3-DIOXOLAN-2-YL)ACETATEfructone,Ethyl acetoacetate ethylene glycol ketal
EINECS 229-114-0Ethylacetoacetate ethyleneglycol ketalEthyl acetoacetate ethylene glycol ketal2-Methyl-1,3-dioxolane-2-acetic acid ethyl esterDTXSID3041241AI3-06368NSC-6537EC 229-114-0
Datenbank-Bezeichner
- CAS
6413-10-1- PubChem CID
- 80865
- DTXSID
DTXSID3041241- UNII
- G5EXI4NID0
- EC Number
- 229-114-0
- Nikkaji
- J76.716F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 44,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 160
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Ethyl 2-methyl-1,3-dioxolane-2-acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.083-1.091 (20 °C)
Solubility
Very slightly soluble in water
Soluble (in ethanol)
Boiling Point125-126 °C
Refractive Index1.428-1.435
Physical DescriptionClear colourless liquid; Strong fruity apple green sweet woody aroma
Physikochemische Eigenschaften
- Siedepunkt
- 90 °C · 90 °C
- Dichte
- 1.0817 · 1.0817 (rough estimate)
- Dampfdruck
- 1.08 hPa · 1.08hPa at 20℃
- FEMA
- 4477 · 4477 | ETHYL ACETOACETATE ETHYLENEGLYCOL KETAL
- Brechungsindex
- 1.431 · 1.4310-1.4350
- Flammpunkt
- 93 °C · 93.00°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Geruch (Odor)
- 100 % · at 100.00 %. sweet fruity apple green tropical plum woody
- Geruchsart
- fruity
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- 124.8 g/L · 124.8g/L at 20℃
- JECFA Number
- 1969 · 1969
- Major Application
- flavors and fragrances
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- InChI
- 1S/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3
- InChIKey
- XWEOGMYZFCHQNT-UHFFFAOYSA-N
- SMILES
- O=C(OCC)CC1(C)OCCO1
- LogP
- 0.8 at · 0.8 at 35℃
- CAS Datenbank
- 6413 · 6413-10-1(CAS DataBase Reference)
- NIST chemische Informationen
- Ethyl acetoacetate ethylene acetal(6413-10-1)
- EPA chemische Informationen
- 1 · 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester (6413-10-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 97.4% (1620 of 1663) of all reports.
Not Classified
Aggregated GHS information provided per 1663 reports by companies from 8 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester
Status: Active Update: 08-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/9998
1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- WGK 2
- tsca
- TSCA listed
- hs_code
- 2932.99.9090
- RTECS-Nr.
- JH6762500
- hazard_code
- Xi
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
Household Products
Information on 53 consumer products that contain ethyl 2-methyl-1,3-dioxolane-2-acetate in the following categories is provided:
Information on 61 consumer products that contain Ethyl 2-methyl-1,3-dioxolane-2-acetateââ¬Â¨ in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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