Grundinformationen
- CAS
540-18-1- Standard-SMILES
CCCCCOC(=O)CCC- InChIKey
CFNJLPHOBMVMNS-UHFFFAOYSA-N- Summenformel
- C9H18O2
- Durchschnittliche Molmasse
- 158,24 g/mol
- Monoisotopische Masse
- 158,13067981
Überblick
N-amyl butyrate appears as a colorless liquid. Less dense than water. May emit acrid fumes and irritating smoke when burned. Used to make plastics.
Namen und Bezeichner
- Bevorzugter Name
- Amyl butyrate
- IUPAC
- pentyl butanoate
- Lokaler Name
- Pentylbutyrat
- Englischer Name
- AMYL BUTYRATE
- Summenformel
- C9H18O2
- Molmasse
- 158.24
Namen und Synonyme
Amyl butyratePENTYL BUTYRATEPentyl butanoate540-18-1n-Amyl butyrateButanoic acid, pentyl ester1-Pentyl butyrateAmyl butanoateButyric acid, pentyl estern-Pentyl n-butyraten-Pentyl butyrateFEMA No. 2059
Weitere Namen anzeigen
FEMA 2059Pentylbutyratamylbutyratespentylbutanoate
DTXSID40416043Q2JP0VD8JNSC-7935DTXCID2021604CHEBI:87684RefChem:162875208-739-2n-Pentyl butanoate
Datenbank-Bezeichner
- CAS
540-18-1- PubChem CID
- 10890
- DTXSID
DTXSID4041604- ChEMBL
CHEMBL3183048- ChEBI
CHEBI:87684- UNII
- 3Q2JP0VD8J
- EC Number
- 208-739-2
- Nikkaji
- J2.633F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 99,7
Experimentelle und physikochemische Eigenschaften
Chemical ClassesFlammable agents - 2nd degree
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesChemical diffusion
FragrancesFragrance Ingredient (Amyl butyrate) -> IFRA transparency List
LogP3.320
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.863-0.866
Flavoring AgentsEU Flavoring substances
Solubility
0.06 mg/mL at 20 °C
soluble in alcohol, ether
(in ethanol)
Flash Point135 °F (NFPA, 2010)
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 < 0.1% (1 of 1286) of reports.
Warning
H226 (97%): 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 1286 reports by companies from 7 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Butanoic acid, pentyl ester
Butanoic acid, pentyl ester: HSNO Approval: HSR001243 Approved with controls
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 - Butanoic acid, pentyl ester: Human health tier I assessment
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Health HazardsExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsHighly Flammable
Reactivity Profile
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Household ProductsInformation on 2 consumer products that contain Amyl Butyrate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationButanoic acid, pentyl ester: ACTIVE
Anwendungen
OccurrenceReported found in apple juice
VerwendenAmyl Butyrate has been used in such flavors as apricot, pineapple, pear, plum, and sparingly in some perfume compositions.
Darstellung
synthetischeFrom n-amyl alcohol and butyric acid in the presence of H2SO4.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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