니코틴산에틸에스테르
Ethyl Nicotinate
기본 정보
- CAS
614-18-6- 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
- 형식 전하
- 0
- 복잡도
- 136
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
- 9 °C · 9 °C
- 끓는 점
- 224 °C · 224 °C
- 밀도
- 1.11 · 1.11
- 증기압
- 4.2 · 4.2-5.5Pa at 20-25℃
- 굴절률
- 1.5 · 1.50
- 인화점
- 93 °C · 93 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 50 g/L · 50g/L
- 산도 계수 (pKa)
- 1 · pK1:3.35(+1) (25°C)
- 물리적 상태
- clear liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 독성
- LD50 orally in Rabbit: > 2005 mg/kg
- HS 번호
- 2933399090
- risk_code
- 37/38-41-36/38-36/37/38
- hazard_code
- Xi
- safety_code
- 26-39-37/39-36
- F 고인화성물질
- 8-9-23
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
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
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.
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