4-Ethylpyridine (HCID 10822)

이름 및 식별자

우선 이름: 4-Ethylpyridine
IUPAC: 4-ethylpyridine
현지명: 에틸피리딘-4
영어명: 4-Ethylpyridine
분자식: C7H9N
분자량: 107.15

이름 및 동의어

4-ETHYLPYRIDINE536-75-4Pyridine, 4-ethyl-.gamma.-EthylpyridineMFCD000064503KW0SE2TL5NSC-8224-Ethylpyridine; NSC 822; NSC 965; gamma-Ethylpyridine4-ethyl pyridine4-Ethyl-pyridine151103-55-84-(C2H5)-pyridine

이름 더 보기

4-에틸피리딘에틸피리딘-4ETHYLPYRIDINE4-ethyl-pyridin4-ethvlpvridineg-Ethylpyridine4-ETHANOLPYRIDINE4-Ethylpyridine>Pyridine, 4-ethyl-GAMMA-ETHYLPYRIDINE4-Ethylpyridine,98%

4-Ethylpyridine, 98%Pyridine, 4-ethyl-, radical ion(1+) (9CI)SCHEMBL142084-ETHYLPYRIDINE [MI]CHEMBL22977SCHEMBL289086SCHEMBL289087SCHEMBL738655

데이터베이스 식별자

CAS: 536-75-4、71077-16-2
PubChem CID: 10822
DTXSID: DTXSID60873555
ChEMBL: CHEMBL22977
UNII: 3KW0SE2TL5
EC Number: 208-646-7
Nikkaji: J6.706G

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 55.4

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials PropertiesBoiling point

Flavoring AgentsEU Flavoring substances

Vapor Pressure2.27 [mmHg]

Physical DescriptionLiquid with an obnoxious odor; Turns brown if not pure; [Merck Index] Colorless to pale yellow liquid with an unpleasant odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -91 °C · -91 °C
끓는 점: 168 °C · 168 °C (lit.)
밀도: 0.942 g/mL · 0.942 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.501(lit.)
인화점: 118 °F · 118 °F
저장 조건: Flammables area
용해도: 107 g/L · 107g/L
물리적 상태: 액체
산도 계수 (pKa): 1 · pK1:5.87(+1) (25°C)
색상: 무색~황색으로 투명함
수소이온지수(pH): 10 · 10 (100g/l, H2O, 20℃)
수용성: 34 g/L · 34g/L
Merck: 14 · 14,3849
BRN: 106481 · 106481
Henry's Law Constant: 1.2 · 1.2×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
Dielectric constant: 10.98 · 10.98
InChI: 1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3
InChIKey: VJXRKZJMGVSXPX-UHFFFAOYSA-N
SMILES: CCc1ccncc1
LogP: 1.65 · 1.650
NIST: 4 · 4-(C2H5)-pyridine(536-75-4)
EPA: 4 · 4-Ethylpyridine (536-75-4)

화학적 성질 · 1건

clear colorless to yellowish liquid. Very powerful, sweet-green, in the pure state nauseating, in dilution slightly minty odour with sweet-herbaceous, mildly tarrypungent undertones. There is a certain similarity between the odour of mushrooms and dry-rotted wood. In suitable dilution, actually, a pleasant odour.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 159 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Pyridine, 4-ethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

4-Ethylpyridine: 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] A skin, respiratory tract, and strong eye irritant; Harmful by inhalation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)