Grundinformationen
- CAS
540-42-1- Standard-SMILES
CCC(=O)OCC(C)C- InChIKey
FZXRXKLUIMKDEL-UHFFFAOYSA-N- Summenformel
- C7H14O2
- Durchschnittliche Molmasse
- 130,18 g/mol
- Monoisotopische Masse
- 130,09937969
Überblick
Isobutyl propionate appears as a colorless liquid. Less dense than water. Vapors heavier than air. May be mildly toxic by ingestion, inhalation and skin absorption. Used to make plastics.
Namen und Bezeichner
- Bevorzugter Name
- Isobutyl propionate
- IUPAC
- 2-methylpropyl propanoate
- Lokaler Name
- Isobutylpropionat
- Englischer Name
- Isobutyl propionate
- Summenformel
- C7H14O2
- Molmasse
- 130.18
Namen und Synonyme
Isobutyl propionate540-42-1Isobutyl propanoate2-METHYLPROPYL PROPANOATEPropanoic acid, 2-methylpropyl esterPropionic acid, isobutyl esterFEMA No. 22128Q382JSY9TNSC-8450DTXSID8060240RefChem:149098DTXCID0041565
Weitere Namen anzeigen
FEMA 2212i-ButylpropionatIsobutylpropionatBUTYL ISO, PROPIONATEIsobutylPropionate>iso-Butyl n-propionate
208-746-0Propionic Acid Isobutyl Ester2-Methylpropyl propionate2-Methyl-1-propyl propanoateiso-Butyl n-propionateMFCD00009307Isobutyl ester of propanoic acidWE(3:0(2Me)/3:0)
Datenbank-Bezeichner
- CAS
540-42-1- PubChem CID
- 10895
- DTXSID
DTXSID8060240- ChEBI
CHEBI:88813- UNII
- 8Q382JSY9T
- EC Number
- 208-746-0
- Nikkaji
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 86,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesFlammable agents - 3rd degree
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Isobutyl propionate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.861-0.867
Flavoring AgentsEU Flavoring substances
Solubility
1700 mg/L @ 25 °C (exp)
miscible with alcohol; soluble in most organic solvents; insoluble in water
(in ethanol)
Boiling Point
66.00 to 67.00 °C. @ 60.00 mm Hg
137-138 °C
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 0.7% (11 of 1504) of reports.
Warning
H226 (99.3%): 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 1504 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2-methylpropyl ester
Propanoic acid, 2-methylpropyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-methylpropyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Isobutyl propionate: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationIMAP assessments - Propanoic acid, 2-methylpropyl ester: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanoic acid, 2-methylpropyl ester: ACTIVE
Anwendungen
OccurrenceReported found in grapes, hop oil, apple, pear, rum, apricot, melon, Gruyere and Parmesan cheese, cider, mushroom, quince, Bourbon vanilla and spineless monkey orange
Verwendenmanufacture of fruit essences.
Darstellung
synthetischeBy direct esterification or by reacting propionyl chloride with isobutyl alcohol in the presence of Mg dust in ether solution.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
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