ニコチン酸エチル

Ethyl Nicotinate

HCID 69188CAS 614-18-6
部分構造検索類似構造を探す

基本情報

標準SMILES
CCOC(=O)c1cccnc1
InChIKey
XBLVHTDFJBKJLG-UHFFFAOYSA-N
分子式
C8H9NO2
平均分子量
151.16 g/mol
単同位体質量
151.06332853

概要

Ethyl nicotinate is a member of pyridines and an aromatic carboxylic acid.

名称と識別子

優先名称
Ethyl Nicotinate
IUPAC
ethyl pyridine-3-carboxylate
現地名
ニコチン酸エチル
英語名
Ethyl nicotinate
分子式
C8H9NO2
分子量
151.16

名称と別名

Ethyl nicotinate614-18-6ethyl pyridine-3-carboxylateEthylnicotinate3-Pyridinecarboxylic acid, ethyl esterNicotinic acid, ethyl esterNikethanIgnicutIgnocutMucothermNicaethanNikithan
名称をさらに表示
ニコチン酸エチルピリジン-3-カルボン酸エチルエチル=ニコチナート3-ピリジンカルボン酸エチルニコチン酸エチル, 99%エチル ピリジン-3-カルボキシラートETHYL 3-PYRIDINECARBOXYLATENICOTINIC ACID ETHYL ESTEREthyl nicotinatethyl nicotinoateETHYL 3-PYRIDINECARBOXYLATE FOR SYNTHESIApamid
Ethyl-nicotinateBa 2673DTXSID9046526NIJ3H353YHNSC-8872DTXCID70265263-carboethoxypyridineRefChem:139015

データベース識別子

CAS
614-18-6
PubChem CID
69188
DTXSID
DTXSID9046526
ChEMBL
CHEMBL2251611
ChEBI
CHEBI:192166
UNII
NIJ3H353YH
EC Number
210-370-7
Nikkaji
J27.971D

物性

構造計算による物性

XLogP
1.3
極性表面積
39.2 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
11

実験および物理化学的性質

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]

物理化学的性質

融点
8 · 8-10 °C (lit.)
沸点
223 · 223-224 °C (lit.)
比重(密度)
1.107 g/mL · 1.107 g/mL at 25 °C (lit.)
蒸気圧
4.2 · 4.2-5.5Pa at 20-25℃
屈折率
20 · n20/D 1.504(lit.)
闪点
93 °C · 93 °C

化学的性質

化学的特性clear colourless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 4 件

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)

安全データ

F
8-9-23
wgk
3
tsca
TSCA listed
毒性
LD50 orally in Rabbit: > 2005 mg/kg
hs_code
29333999
risk_code
37/38-41-36/38-36/37/38

化学と産業

用途と製造

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
応用分野 · 3 件

用途有機合成原料。

説明Ethyl 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].

使用Ethyl nicotinate is a nicotinic acid derivative used for skin-conditioning cosmetics.

上流・下流製品情報

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
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上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

補足説明

定義本品は、ナイアシン(*)とエタノール(*)とのエステルであり、次の化学式で表される。参照表示名称：ナイアシン, エタノール

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