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Amylmetacresol

HCID 14759
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1300-94-3
표준 SMILES
CCCCCc1ccc(C)cc1O
InChIKey
CKGWFZQGEQJZIL-UHFFFAOYSA-N
분자식
C12H18O
평균 분자량
178.27 g/mol
단동위원소 질량
178.13576519

개요

Amylmetacresol is a phenol having the structure of m-cresol substituted at the 6-position with an amyl group. It has a role as an antiseptic drug. It is functionally related to a m-cresol.

이름 및 식별자

우선 이름
Amylmetacresol
IUPAC
5-methyl-2-pentylphenol
영어명
Amylmetacresol
분자식
C12H18O
분자량
178.27

이름 및 동의어

Amylmetacresol5-Methyl-2-pentylphenol1300-94-36-Pentyl-m-cresol6-Amyl-m-cresol6-n-Amyl-m-cresolamylmetacresolumPhenol, 5-methyl-2-pentyl-6-n-Pentyl-m-cresolAmilmetacresolAmyl metacresolDTXSID8046791
이름 더 보기
AmyleineAMYL-M-CRESOLamylmetacresoPENTYL-M-CRESOL6-pentyl-m-cresoAMYL META CRESOLAMYL(6-)-M-CRESOL
05W904P57FDTXCID6026791CHEBI:48213amilmetacresoloThroatiesRefChem:112402215-094-05-methyl-2-n-pentylphenol

데이터베이스 식별자

CAS
1300-94-3
PubChem CID
14759
DTXSID
DTXSID8046791
ChEMBL
CHEMBL1512677
ChEBI
CHEBI:48213
UNII
05W904P57F
EC Number
215-094-0
Nikkaji
J118.441E

물성

구조 계산 물성

XLogP
4.4
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
13
형식 전하
0
복잡도
133

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Solubilitynot soluble

물리화학적 성질

녹는점
24 °C · 24°C
끓는 점
139 °C/15mmHg · 139°C/15mmHg(lit.)
밀도
0.9414 · 0.9414 (estimate)
굴절률
1.512 to · 1.5120 to 1.5160
저장 조건
Inert atmosphere,Room Temperature
용해도
물에는 거의 녹지 않으며, 아세톤과 에탄올(96%)에는 매우 잘 녹습니다.
산도 계수 (pKa)
10.55 · 10.55±0.35(Predicted)
물리적 상태
Liquid
색상
노란색에서 진한 주황색까지
주요 응용
의약품(소분자)
InChI
InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3
InChIKey
CKGWFZQGEQJZIL-UHFFFAOYSA-N
SMILES
C1(O)=CC(C)=CC=C1CCCCC
EPA
5 · Phenol, 5-methyl-2-pentyl- (1300-94-3)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

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

P203, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
WGK 3
rtecs
GP3100000
ridadr
UN 3145 8/PG III
HS 번호
2907199090
risk_code
22
hazard_code
Xn
포장분류
III
위험 등급
8
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
10 - Combustible liquids

화학 및 산업

약리 정보

Pharmacodynamics · 1건

The mixture of amylmetacresol throat lozenge medications markedly reduces the infectivity of certain infectious viruses in the throat and in cough droplets, thus reducing opportunities for person-to-person transmission. In addition, it relieves symptoms of sore throat/irritation of the throat,. Amylmetacresol is thought to inhibit the inflammatory and pain mediators that are involved in the inflammation of the mouth and throat mucous membranes, as well as the sore throat.

Mechanism of Action · 1건

The mechanism of virucidal action is not fully elucidated, however it is suggested that denaturation of external protein spikes, a pH-induced rearrangement of the tertiary structure of attachment proteins, or a selective effect on viral lipid membranes/protein–lipid interaction is responsible for this action. Amylmetacresol is an antibacterial and antiviral agent, and blocks voltage-gated Na channels in a local anesthetic-like manner.

Absorption, Distribution and ExcretionRapidly absorbed and eliminated.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >50
응용 분야 · 1건

용도Antiseptic. Amylmetacresol is an antiseptic available in Canada over-the-counter in a number of lozenges for the treatment of sore throat and minor mouth infections,. Amylmetacresol is often combined with dichlorobenzyl alcohol and menthol in the commonly used sore throat lozenges, known as Strepsils. The acute sore throat (pharyngitis) is one of the most common conditions for which children are seen in the primary care setting. Pharyngitis is normally caused by viruses and proves benign and self-limiting. Clinically proven, over-the-counter throat lozenges offer rapid and effective relief of acute sore throat symptoms, and are increasingly important in the management of this condition.

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

화학적 성질

Clear or almost clear liquid, or solid crystalline mass, colourless or slightly yellow when freshly prepared. The substance changes colour during storage by darkening and/or discolouration to dark yellow, brownish-yellow or pink.

상·하류 제품 정보

상류 원료

2'-히드록시-4'-메틸발레로페논펜타노일 클로라이드m-크레졸

공급사82 곳

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安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
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杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

추가 설명

정의ChEBI: Amylmetacresol is a phenol having the structure of m-cresol substituted at the 6-position with an amyl group. It has a role as an antiseptic drug. It derives from a m-cresol.