3-Acetylpyridine (HCID 9589)

개요

3-Acetylpyridine is an aromatic ketone.

이름 및 식별자

우선 이름: 3-Acetylpyridine
IUPAC: 1-pyridin-3-ylethanone
현지명: 3-아세틸피리딘
영어명: 3-Acetylpyridine
분자식: C7H7NO
분자량: 121.14

이름 및 동의어

3-ACETYLPYRIDINE350-03-81-pyridin-3-ylethanone1-(3-Pyridinyl)ethanoneMethyl 3-pyridyl ketoneEthanone, 1-(3-pyridinyl)-1-(pyridin-3-yl)ethan-1-oneMethyl pyridyl ketonebeta-AcetylpyridineFEMA No. 3424DTXSID7044421NSC-761

이름 더 보기

3-아세틸피리딘FEMA 34243-Acetylpiridinemethylpyridylketone1-(3-pyridenyl)ethanoneEthanone,1-(3-pyridinyl)-NSC 761Imatinib-int A3-ActylPyridine

00QT8FX306DTXCID5024421RefChem:818064206-496-71-(pyridin-3-yl)ethanone3-Acetopyridine3-acetyl pyridineKetone, methyl 3-pyridyl

데이터베이스 식별자

CAS: 350-03-8
PubChem CID: 9589
DTXSID: DTXSID7044421
ChEMBL: CHEMBL3187172
ChEBI: CHEBI:166501
UNII: 00QT8FX306
EC Number: 206-496-7
Nikkaji: J5.689H

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 111

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

FragrancesFragrance Ingredient (3-Acetylpyridine) -> IFRA transparency List

LogP0.43

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.103-1.112

Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점: 11 · 11-13 °C (lit.)
끓는 점: 220 °C · 220 °C (lit.)
밀도: 1.102 g/mL · 1.102 g/mL at 25 °C (lit.)
증기압: 0.3 Pa · 0.3Pa at 20℃
FEMA: 3424 · 3424 | 3-ACETYLPYRIDINE
굴절률: 20 · n20/D 1.534(lit.)
인화점: 302 °F · 302 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 1 · pK1: 3.256(+1) (25°C)
Specific Gravity: 1.102 · 1.102
색상: 무색~황색으로 투명함
수소이온지수(pH): 6.5 · 6.5-7.5 (H2O, 20℃)
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 달콤하고 고소한 드라이 호손 페놀릭 우디 팝콘
냄새 유형: 견과류
생물학적 소스: synthetic
수용성: 뜨거운 물에 용해됨
Merck: 14 · 14,6116
JECFA Number: 1316 · 1316
BRN: 107751 · 107751
Henry's Law Constant: 4.6 · 4.6×102 mol/(m3Pa) at 25℃, Abraham et al. (1994)
주요 응용: 향료 및 향
InChI: 1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3
InChIKey: WEGYGNROSJDEIW-UHFFFAOYSA-N
SMILES: CC(=O)c1cccnc1
LogP: 0.34 at · 0.34 at 13℃
NIST: 1 · Ethanone, 1-(3-pyridinyl)-(350-03-8)
EPA: 1 · Ethanone, 1-(3-pyridinyl)- (350-03-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (99.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1657 reports by companies from 8 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Ethanone, 1-(3-pyridinyl)-

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

Status: Active Update: 01-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17662

Methyl 3-pyridyl ketone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (99.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: OB5425000
ridadr: UN 2810 6.1/PG 3
독성: LD50 orl-rat: 46 mg/kg JACTDZ 1,681,92
HS 번호: 29333999
risk_code: 25-36/38-36/37/38-20/21/22
hazard_code: T,Xi,Xn
safety_code: 45-37/39-28A-26-36
포장분류: II
위험 등급: 6.1
F 고인화성물질: 8-10
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralSkin Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Toxic substances from microorganisms, plants or animals that interfere with the functions of the nervous system. Most venoms contain neurotoxic substances. Myotoxins are included in this concept.

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 5건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationEthanone, 1-(3-pyridinyl)-: ACTIVE

응용 분야

출처Reported found in roasted filberts, beer, brandy, coffee, malt and wheaten bread.

용도3-Acetylpyridine used as an intermediate for the synthesis of risedronate sodium, inhibitor of bone resorption. It is also used in perfumery.

제조 방법

생산 방법Produced from Ethyl nicotinate and Ethyl acetoacetate, in principle by hydrolysis of Aceto acetylpyridine.

Dry distillation of calcium nicotinate with calcium acetate.

상·하류 제품 정보

상류 원료

니코틴산 아세트산 칼슘 (S)-1-(3-피리딜)에탄올

하류 제품

5-(Pyridin-3-yl)-1H-pyrazole-3-carboxamide ,97%3-Acetyl-2-chloropyridine 5-피리딘-3-YL-1H-피라졸-3-카르복실산 1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one Ethyl 3-pyridylacetate 3-(2-Bromoacetyl)pyridine hydrobromide 5-(PYRIDIN-3-YL)-1H-PYRAZOLE-3-카르복실산에틸에스테르 4-(Pyridin-3-yl)pyrimidin-2-amine 5-(Pyridin-3-yl)-1H-pyrazole-3-carbohydrazide ,97%2-Amino-3-acetylpyridine 5-Acetyl-2-cyanopyridine 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid

공급사50 곳

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T&W GROUP021-61551611 13296011611 · [email protected]

추가 설명

정의It is a nicotinic acidantagonist.

연결된 노트

불러오는 중…

3-아세틸피리딘

기본 정보

개요