Ethylnicotinat

Ethyl Nicotinate

HCID 69188CAS 614-18-6
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Grundinformationen

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

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
8 · 8-10 °C (lit.)
Siedepunkt
223 · 223-224 °C (lit.)
Dichte
1.107 g/mL · 1.107 g/mL at 25 °C (lit.)
Dampfdruck
4.2 · 4.2-5.5Pa at 20-25℃
Brechungsindex
20 · n20/D 1.504(lit.)
Flammpunkt
93 °C · 93 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 4 Einträge

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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
29333999
risk_code
37/38-41-36/38-36/37/38
Toxizität
LD50 orally in Rabbit: > 2005 mg/kg

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 · 2 Einträge

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

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