니코틴산에틸에스테르

Ethyl Nicotinate

HCID 69188CAS 614-18-6
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기본 정보

표준 SMILES
CCOC(=O)c1cccnc1
InChIKey
XBLVHTDFJBKJLG-UHFFFAOYSA-N
분자식
C8H9NO2
평균 분자량
151.16 g/mol
단동위원소 질량
151.06332853

개요

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

이름 및 식별자

우선 이름
Ethyl Nicotinate
IUPAC
ethyl pyridine-3-carboxylate
현지명
니코틴산에틸에스테르
영어명
Ethyl nicotinate
분자식
C8H9NO2
분자량
151.16

이름 및 동의어

Ethyl nicotinate614-18-6ethyl pyridine-3-carboxylateEthylnicotinate3-Pyridinecarboxylic acid, ethyl esterNicotinic acid, ethyl esterNikethanIgnicutIgnocutMucothermNicaethanNikithan
이름 더 보기
니코틴산에틸니코틴산에틸에스테르에틸니코티네이트니코틴산 에틸ETHYL 3-PYRIDINECARBOXYLATENICOTINIC ACID ETHYL ESTEREthyl nicotinatethyl nicotinoateETHYL 3-PYRIDINECARBOXYLATE FOR SYNTHESIApamid
Ethyl-nicotinateBa 2673DTXSID9046526NIJ3H353YHNSC-8872DTXCID70265263-carboethoxypyridineRefChem:139015

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.3
극성 표면적
39.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
11

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점
8 · 8-10 °C (lit.)
끓는 점
223 · 223-224 °C (lit.)
밀도
1.107 g/mL · 1.107 g/mL at 25 °C (lit.)
증기압
4.2 · 4.2-5.5Pa at 20-25℃
굴절률
20 · n20/D 1.504(lit.)
인화점
93 °C · 93 °C

화학적 성질

clear colourless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 4건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

안전 데이터

wgk
3
tsca
TSCA listed
독성
LD50 orally in Rabbit: > 2005 mg/kg
HS 번호
29333999
risk_code
37/38-41-36/38-36/37/38
hazard_code
Xi

화학 및 산업

용도 및 제조

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
응용 분야 · 2건

개요Ethyl 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].

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

상·하류 제품 정보

공급사50 곳

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