3-Ethyl-4-methylpyridine

HCID 68254CAS 529-21-5

기본 정보

표준 SMILES: CCc1cnccc1C
InChIKey: JDQNYWYMNFRKNQ-UHFFFAOYSA-N
분자식: C8H11N
평균 분자량: 121.18 g/mol
단동위원소 질량: 121.08914935

이름 및 식별자

우선 이름: 3-Ethyl-4-methylpyridine
IUPAC: 3-ethyl-4-methylpyridine
영어명: 3-ETHYL-4-METHYLPYRIDINE
분자식: C8H11N
분자량: 121.18

이름 및 동의어

3-Ethyl-4-methylpyridine529-21-53-Ethyl-4-picolinePyridine, 3-ethyl-4-methyl-UNII-4I7CCZ440O4I7CCZ440OEINECS 208-453-8NSC-62016AI3-16615.beta.-Ethyl-.gamma.-picolineDTXSID10601823-ETHYL-4-PICOLINE [MI]

이름 더 보기

B-COLLIDINE3-ETHYL-G-PICOLINE3-Ethyl-γ-picoline4-Picoline, 3-ethyl-3-Ethyl-gamma-picoline

RefChem:93836beta-Ethyl-gamma-picolineDTXCID9041316InChI=1/C8H11N/c1-3-8-6-9-5-4-7(8)2/h4-6H,3H2,1-2HJDQNYWYMNFRKNQ-UHFFFAOYSA-Nbeta-Collidine4-Methyl-3-ethylpyridine.beta.-Collidine

데이터베이스 식별자

CAS: 529-21-5
PubChem CID: 68254
DTXSID: DTXSID1060182
UNII: 4I7CCZ440O
EC Number: 208-453-8
Nikkaji: J6.681H

물성

구조 계산 물성

XLogP: 2
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 80.6

물리화학적 성질

녹는점: 6 · 6-8C
끓는 점: 195 · 195-196°C
밀도: 0 · 0,936g/cm
굴절률: 1 · 1,465
인화점: 195 · 195-196°C
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 6.25 · 6.25±0.18(Predicted)
LogP: 2.18 · 2.180 (est)
EPA: 3 · Pyridine, 3-ethyl-4-methyl- (529-21-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Pyridine, 3-ethyl-4-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

안전 데이터

tsca: TSCA listed
ridadr: 1760
risk_code: 20/21/22-36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
포장분류: III
위험 등급: 8

화학 및 산업

용도 및 제조

General Manufacturing InformationPyridine, 3-ethyl-4-methyl-: INACTIVE

응용 분야 · 1건

개요This alkyl-substituted Pyridine has been suggested for usc in perfume compositions of the non-floral character. It blends excellently with Oakmoss and Vetiver, the earthy-mossy notes of which it will support and modify in a pleasant manner, and it produces new shades of Fougere with Amylsalicylate, Cedarwood, Lavender, Amylvinylcarbinol etc.