4-Methylanisole (HCID 7731)

이름 및 식별자

우선 이름: 4-Methylanisole
IUPAC: 1-methoxy-4-methylbenzene
현지명: 4-메틸아니솔
영어명: 4-Methylanisole
분자식: C8H10O
분자량: 122.16

이름 및 동의어

4-Methylanisole1-METHOXY-4-METHYLBENZENE104-93-84-MethoxytolueneBenzene, 1-methoxy-4-methyl-p-Cresol methyl etherp-methyl anisoleAnisole, p-methyl-Methyl p-tolyl ether4-Methyl anisoleMethyl p-cresolp-Tolyl methyl ether

이름 더 보기

1-메톡시-4-메틸벤젠4-메틸아니솔MSOPARA CRESYL METHYL ETHERP-CRESYL METHYL ETHERP-METHYLANISOLEFEMA 2681P-METHOXYTOLUENEBenzene,1-methoxy-4-methyl-

para-MethylanisoleMethyl p-cresyl ether4-Methyl-1-methoxybenzene4-Methylphenol methyl etherMethyl-para-cresolpara-Methoxytoluenepara-Cresyl methyl etherToluene, 4-methoxy-

데이터베이스 식별자

CAS: 104-93-8
PubChem CID: 7731
DTXSID: DTXSID9026710
ChEMBL: CHEMBL154155
ChEBI: CHEBI:89728
UNII: 10FAI0OR9W
EC Number: 203-253-7
Nikkaji: J10.114A

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 72

물리화학적 성질

녹는점: -32 °C · -32°C
끓는 점: 174 °C · 174 °C(lit.)
밀도: 0.969 g/mL · 0.969 g/mL at 25 °C(lit.)
증기압: 5.25 mm · 5.25 mm Hg ( 50 °C)
굴절률: 20 · n20/D 1.511(lit.)
FEMA: 2681 · 2681 | P-METHYLANISOLE
인화점: 128 °F · 128 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(수용성), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
색상: 무색투명~미황색
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 나프틸 크레졸 일랑 파우더리 너티
냄새 유형: 나프틸
생물학적 소스: synthetic
폭발한계: 1.1 · 1.1-8.3%(V)
Odor Threshold: 0.0012 ppm · 0.0012ppm
수용성: 약간 용해됨
JECFA Number: 1243 · 1243
BRN: 1237336 · 1237336
Henry's Law Constant: 2.1 · 2.1×10-3 mol/(m3Pa) at 25℃, HSDB (2015)
Dielectric constant: 4.03 · 4.0300000000000002
안정성: 안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운.
주요 응용: 청소용품화장품음식 및 음료개인 위생 관리
화장품 원료 기능: 향수
InChI: 1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
InChIKey: CHLICZRVGGXEOD-UHFFFAOYSA-N
SMILES: COc1ccc(C)cc1
LogP: 2.74 · 2.74-2.8 at 25-35℃
NIST: 1 · Benzene, 1-methoxy-4-methyl-(104-93-8)
EPA: p-Methylanisole (104-93-8)

화학적 성질

colourless liquid

안전 및 규제

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: BZ8780000
ridadr: UN 1993 3/PG 3
독성: The acute oral LD50 in rats was reported as 1.92 (1.51-2.45) g/kg (Hart, 1971). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Hart, 1971).
HS 번호: 29093090
risk_code: 22-38-10-52/53-63
hazard_code: Xn
safety_code: 36/37-16-61
포장분류: III
위험 등급: 3
기존화학 물질: KE-23306
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Repr. 2Skin Irrit. 2
스토리지 클래스: 3 - Flammable liquids
유해 물질 데이터: 104-93-8(Hazardous Substances Data)

화학 및 산업

응용 분야 · 4건

개요p-Methylanisole has a pungent odor suggestive of ylang-ylang. May be prepared by methylation of p-cresol.

출처Reported found in the oils of ylang-ylang, cananga and flowers of Mimusops elengi L. Also reported found in tomato, blue and Camembert cheese, starfruit, buckwheat, rooibus tea (Aspalathus linearis) and tapereba (Spondias lutea).

용도4-Methylanisole was used to prepare 5-methoxy-1,8-dimethyltetralin. It was also used as the solubilizate molecule to study the site of incorporation of solubilizates in sodium dodecyl sulfate (SDS) micellar systems.

일반 설명4-Methylanisole is an odorant benzenoid belonging to the group of volatile organic compounds (VOCs). It can contribute to the floral scent of the plants. 4-Methylanisole is typically a lignin-derived bio-oil that is also a major ingredient of certain food products.

제조 방법

By methylation of p-cresol.

상·하류 제품 정보

상류 원료

P-크레졸 2-메틸아니솔 Benzene, 1,1'-[thiobis(methylene)]bis[4-methoxy-트리부틸(4-메톡시페닐)스탄난 4-METHOXYBENZYL MERCAPTAN 테트라메틸주석 Sodium methyl sulfate 아니스일 알코올 (4-메톡시페닐)아세토나이트릴 벤조산,4-broMo-,페닐에스테르

하류 제품

4-[[5-메톡시-4-[(4-메톡시페닐)아조]-2-메틸페닐]아조]벤젠술포닉산 나트륨 염 2-메톡시-5-메틸아닐린 VESNARINONE 아니스알데히드 Benzene, 1-methyl-4-(1-methylethoxy)-트리니트로메탄 파라-아니스알데히드디메틸아세탈

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

연결된 노트

불러오는 중…

4-메틸아니솔

기본 정보