Ethylnicotinat
Ethyl Nicotinate
Grundinformationen
- CAS
614-18-6- Standard-SMILES
CCOC(=O)c1cccnc1- InChIKey
XBLVHTDFJBKJLG-UHFFFAOYSA-N- Summenformel
- C8H9NO2
- Durchschnittliche Molmasse
- 151,16 g/mol
- Monoisotopische Masse
- 151,06332853
Überblick
Ethyl nicotinate is a member of pyridines and an aromatic carboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl Nicotinate
- IUPAC
- ethyl pyridine-3-carboxylate
- Lokaler Name
- Ethylnicotinat
- Englischer Name
- Ethyl nicotinate
- Summenformel
- C8H9NO2
- Molmasse
- 151.16
Namen und Synonyme
Ethyl nicotinate614-18-6ethyl pyridine-3-carboxylateEthylnicotinate3-Pyridinecarboxylic acid, ethyl esterNicotinic acid, ethyl esterNikethanIgnicutIgnocutMucothermNicaethanNikithan
Weitere Namen anzeigen
ETHYL 3-PYRIDINECARBOXYLATENICOTINIC ACID ETHYL ESTEREthyl nicotinatethyl nicotinoateETHYL 3-PYRIDINECARBOXYLATE FOR SYNTHESIApamid
Ethyl-nicotinateBa 2673DTXSID9046526NIJ3H353YHNSC-8872DTXCID70265263-carboethoxypyridineRefChem:139015
Datenbank-Bezeichner
- CAS
614-18-6- PubChem CID
- 69188
- DTXSID
DTXSID9046526- ChEMBL
CHEMBL2251611- ChEBI
CHEBI:192166- UNII
- NIJ3H353YH
- EC Number
- 210-370-7
- Nikkaji
- J27.971D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 39,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 136
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyridines
CosmeticsSkin conditioning
SpringerMaterials PropertiesChemical shift
LogP1.34
Flavoring AgentsEU Flavoring substances
Physical DescriptionClear light yellow liquid; mp = 8-10 deg C; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 9 °C · 9 °C
- Siedepunkt
- 224 °C · 224 °C
- Dichte
- 1.11 · 1.11
- Dampfdruck
- 4.2 · 4.2-5.5Pa at 20-25℃
- Brechungsindex
- 1.5 · 1.50
- Flammpunkt
- 93 °C · 93 °C
- storage temp.
- 30 °C · Store below +30°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
Warning
H319 (90.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1447 reports by companies from 12 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 3-Pyridinecarboxylic acid, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 08-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23786
Ethyl 3-pyridinecarboxylate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [EFSA] An irritant that may cause serious eye injury; [Sigma-Aldrich MSDS] See Nicotinic acid.
Hazard Classes and CategoriesEye Irrit. 2 (90.3%)
Sicherheitsdaten
- F
- 8-9-23
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933399090
- risk_code
- 37/38-41-36/38-36/37/38
- Toxizität
- LD50 orally in Rabbit: > 2005 mg/kg
- hazard_code
- Xi
- safety_code
- 26-39-37/39-36
Chemie und Industrie
Verwendung und Herstellung
UsesA flavoring agent that naturally occurs in apricots, arctic bramble, beer, and papaya; [EFSA]
Use ClassificationCosmetics -> Skin conditioning
General Manufacturing Information3-Pyridinecarboxylic acid, ethyl ester: ACTIVE
Anwendungen
BeschreibungEthyl nicotinate is a chemical attractant used to prevent and control plant pests. Ethyl nicotinate was found to be a potent attractant forThrips obscuratus in peaches and apricots. It is more attractive than ripe fruit and catches peak at harvest. Long season trapping demonstrated the efficiency of chemical traps compared to unbaited traps. The attractiveness of the chemical was maintained for at least 2 weeks when 50 μl of the chemical was placed in an open 2 ml vial cap. Various pyralids, geometrids (Lepidoptera), and chironomids (Diptera) were also attracted in low numbers to ethyl nicotinate[1].
VerwendenEthyl nicotinate is a nicotinic acid derivative used for skin-conditioning cosmetics.
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