Grundinformationen
- Standard-SMILES
CCCCCCCOC=O- InChIKey
XEAMDSXSXYAICO-UHFFFAOYSA-N- Summenformel
- C8H16O2
- Durchschnittliche Molmasse
- 144,21 g/mol
- Monoisotopische Masse
- 144,11502975
Überblick
Heptyl formate is a carboxylic ester.
Namen und Bezeichner
- Bevorzugter Name
- Heptyl Formate
- IUPAC
- heptyl formate
- Englischer Name
- HEPTYL FORMATE
- Summenformel
- C8H16O2
- Molmasse
- 144.21
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
112-23-2- PubChem CID
- 8169
- DTXSID
DTXSID9059416- ChEMBL
CHEMBL2270392- ChEBI
CHEBI:179932- UNII
- PU6O623G48
- EC Number
- 203-949-0
- Nikkaji
- J34.717E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 71,7
Experimentelle und physikochemische Eigenschaften
Solubility
soluble in ether, most organic solvents; insoluble in water
1 ml in 5 ml 70% alcohol (in ethanol)
Boiling Point
177.00 to 178.00 °C. @ 760.00 mm Hg
176.7-178 °C
Physikochemische Eigenschaften
- Schmelzpunkt
- -46.4 °C · -46.4°C
- Siedepunkt
- 178 °C · 178 °C(lit.)
- Dichte
- 0.882 g/mL · 0.882 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.413(lit.)
- FEMA
- 2552 · 2552 | HEPTYL FORMATE
- Flammpunkt
- 140 °F · 140 °F
- Geruch (Odor)
- 100 % · at 100.00 %. green waxy floral herbal plum apple cucumber
- Geruchsart
- green
- JECFA Number
- 121 · 121
- Henry's Law Constant
- 6.7 · 6.7×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 2.96 · 2.96
- EPA chemische Informationen
- Formic acid, heptyl ester (112-23-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Formic acid, heptyl ester
Formic acid, heptyl ester: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- RTECS-Nr.
- LQ8582000
- risk_code
- 36/38-41
- hazard_code
- Xi
- safety_code
- 26-36/37/39
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Anwendungen
BeschreibungHeptyl formate has a fruity-floral odor with an orris-rose undertone and a sweet taste reminiscent of plum. May be synthesized from n-heptyl bromide and formamide at the boil.
OccurrenceReported found in kumquat peel oil and beer
VerwendenHeptyl Formate is a synthetic flavoring agent that is a moderately stable, colorless to light yellow liquid of fruity odor. it should be stored in glass or tin containers. it is used in fruit flavors such as apricot, pear, and plum with applications in beverages, ice cream, candy, and baked goods at 1–4 ppm.
Darstellung
synthetischeFrom n-heptyl bromide and formamide at the boil.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter21 Anbieter
Zugehörige Reaktionen
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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