2-Methylanisole (HCID 33637)

이름 및 식별자

우선 이름: 2-Methylanisole
IUPAC: 1-methoxy-2-methylbenzene
현지명: 2-메틸아니솔
영어명: 2-Methylanisole
분자식: C8H10O
분자량: 122.16

이름 및 동의어

2-Methylanisole1-Methoxy-2-methylbenzene578-58-5o-Methylanisole2-Methoxytolueneo-Methoxytolueneo-Cresol methyl etherBENZENE, 1-METHOXY-2-METHYL-o-Cresyl methyl etherMethyl o-tolyl etherAnisole, o-methyl-2-Methylmethoxybenzene

이름 더 보기

2-메틸아니솔FEMA 26802-Methylanisolo-Methylanisol

Methyl o-cresyl etherFEMA No. 268009G73SL17KNSC-6253DTXSID9060368CHEBI:141702RefChem:88252DTXCID3042261

데이터베이스 식별자

CAS: 578-58-5
PubChem CID: 33637
DTXSID: DTXSID9060368
ChEBI: CHEBI:141702
UNII: 09G73SL17K
EC Number: 209-426-3
Nikkaji: J7.427F

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: 80

실험 및 물리화학적 성질

LogP2.74

Density0.983-0.986 (15.5 °C)

Solubility · 2건

Insoluble in water, soluble in oils

soluble (in ethanol)

Boiling Point · 2건

170.00 to 172.00 °C. @ 760.00 mm Hg

172 °C

Melting Point-34.1 °C

Vapor Pressure1.5 [mmHg]

물리화학적 성질

녹는점: -34.1 °C · -34.1°C
끓는 점: 170 · 170-172 °C (lit.)
밀도: 0.985 g/mL · 0.985 g/mL at 25 °C (lit.)
증기압: 2 hPa · 2hPa at 25℃
굴절률: 20 · n20/D 1.516(lit.)
FEMA: 2680 · 2680 | O-METHYLANISOLE
인화점: 125 °F · 125 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
물리적 상태: 액체
Specific Gravity: 0.985 · 0.985
색상: 무색투명~연황색
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 달콤한 열매가 많은 꽃무늬 흙빛 호두
냄새 유형: 나프틸
Odor Threshold: 0.0029 ppm · 0.0029ppm
생물학적 소스: synthetic
수용성: 섞일 수 없음
JECFA Number: 1242 · 1242
BRN: 1857415 · 1857415
Dielectric constant: 3.57 · 3.5699999999999998
InChI: 1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
InChIKey: DTFKRVXLBCAIOZ-UHFFFAOYSA-N
SMILES: COc1ccccc1C
LogP: 3 at · 3 at 25℃
NIST: 1 · Benzene, 1-methoxy-2-methyl-(578-58-5)
EPA: 1 · Benzene, 1-methoxy-2-methyl- (578-58-5)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.8% (11 of 1453) of reports.

Warning

H226 (10.7%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1453 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 11 of 1453 reports by companies.；There are 4 notifications provided by 1442 of 1453 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

Chemical: Benzene, 1-methoxy-2-methyl-

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

Status: Cease Manufacture Update: 25-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20341

Benzene, 1-methoxy-2-methyl-: 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; [JECFA] May cause irritation; [Alfa Aesar MSDS] See Anisole.

Peroxide Forming Chemical · 4건

o-Methyl anisole

D*: Other compounds that may form peroxides

No amount of peroxides were found in new commerically available containers

Removal of Peroxides from Ethers with Cerous Hydroxide

Hazard Classes and CategoriesFlam. Liq. 3 (10.7%)；Acute Tox. 4 (88.6%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

규제 정보

Regulatory Information · 4건

Chemical: Benzene, 1-methoxy-2-methyl-

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

Status: Cease Manufacture Update: 25-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20341

Benzene, 1-methoxy-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
HS 번호: 29093090
risk_code: 10
hazard_code: F
safety_code: 16
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

UsesUsed as flavoring agent or adjuvant; [FDA]

Use Classification · 5건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzene, 1-methoxy-2-methyl-: ACTIVE

응용 분야 · 3건

출처Reported found in starfruit, mastic gum oil and rooibus tea (Aspalathus linearis).

용도The catalytic system of disubstituted aromatics was optimized for the 2-methylanisole reduction by a proper choice of the amine/Rh ratio which should be high enough to stabilize very small colloidal rhodium particles and low enough to avoid deactivation. The total synthesis of (±)-heliannuol D and its epimer has been completed in 9 steps and 12% overall yield from 2-methylanisole. The thermal activation of 2-methylanisole (60°C) by the Ir (III) complex TpMe2Ir (C6H5) 2 (N2)(1; TpMe2= hydrotris (3, 5-dimethylpyrazolyl) borate) yielded a mixture of hydride complexes. The total synthesis of the phenolic sesquiterpene mutisianthol has been accomplished in 12 steps from the readily available 2-methylanisole. The catalytic system was optimized for the 2-methylanisole reduction by a proper choice of the amine/Rh ratio which should be high enough to stabilize very small colloidal rhodium particles and low enough to avoid deactivation.

일반 설명2-Methylanisole is found in mastic oils, virgin olive oils and frankincense. It is a monomethoxybenzene and acts as an intermediate for the preparation of compounds with methylhydroquinone core.

제조 방법 · 1건

2-Methylanisole is synthesized by methylation of o-cresol using dimethylsulfate in caustic soda at 40°C.synthesis of 2-methylanisole: Make sodium hydroxide into a 20% solution, stir and mix with o-cresol, cool to below 10°C, and slowly add dimethyl sulfate dropwise. After the addition was completed, the temperature was raised to 40 °C for 20 min, and then reacted with 100 °C for 12 h. Then the reactant was washed with water until neutral, water was removed, distilled, and the fraction at 171°C was collected to obtain the finished product of 2-methylanisole.

상·하류 제품 정보

상류 원료

하류 제품

4-메틸아니솔 4-Methoxy-2-methylphenylboronic acid 4-Methoxy-3-methylbenzyl chloride 4-메톡시-3-메틸페닐아세톤 Methoxyphenone 2-METHOXY-3-메틸렌산 2-Methoxy-3-methylphenol 4-아미노-2-메틸라니솔 2아미노-6-메틸아니솔 5-(4-메톡시-3-메틸페닐)-5-옥소발레르산

공급사50 곳

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]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

추가 설명 · 1건

정의ChEBI: 2-methylanisole is a monomethoxybenzene that is o-cresol in which phenolic hydroxy group has been converted to the corresponding methyl ether. A 'green' solvent (b.p. 171°C) and food flavour ingredient, it is found in mastic oils, virgin olive oils and frankincense. It has a role as a polar aprotic solvent and a flavouring agent. It is a monomethoxybenzene, a volatile organic compound and a member of toluenes. It derives from an o-cresol.

연결된 노트

불러오는 중…

2-메틸아니솔

기본 정보