2-Methylanisol

2-Methylanisole

HCID 33637CAS 578-58-5
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Grundinformationen

Standard-SMILES
COc1ccccc1C
InChIKey
DTFKRVXLBCAIOZ-UHFFFAOYSA-N
Summenformel
C8H10O
Durchschnittliche Molmasse
122,16 g/mol
Monoisotopische Masse
122,07316494

Namen und Bezeichner

Bevorzugter Name
2-Methylanisole
IUPAC
1-methoxy-2-methylbenzene
Lokaler Name
2-Methylanisol
Englischer Name
2-Methylanisole
Summenformel
C8H10O
Molmasse
122.16

Namen und Synonyme

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
Weitere Namen anzeigen
FEMA 26802-Methylanisolo-Methylanisol
Methyl o-cresyl etherFEMA No. 268009G73SL17KNSC-6253DTXSID9060368CHEBI:141702RefChem:88252DTXCID3042261

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,7
Polarare Oberfläche (TPSA)
9,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

LogP2.74
Density0.983-0.986 (15.5 °C)
Solubility · 2 Einträge

Insoluble in water, soluble in oils

soluble (in ethanol)

Boiling Point · 2 Einträge

170.00 to 172.00 °C. @ 760.00 mm Hg

172 °C

Melting Point-34.1 °C
Vapor Pressure1.5 [mmHg]

Physikochemische Eigenschaften

Schmelzpunkt
-34.1 °C · -34.1°C
Siedepunkt
170 · 170-172 °C (lit.)
Dichte
0.985 g/mL · 0.985 g/mL at 25 °C (lit.)
Dampfdruck
2 hPa · 2hPa at 25℃
Brechungsindex
20 · n20/D 1.516(lit.)
FEMA
2680 · 2680 | O-METHYLANISOLE

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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 · 4 Einträge

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%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Regulatorische Informationen

Regulatory Information · 4 Einträge

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

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29093090
risk_code
10
hazard_code
F

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification · 5 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzene, 1-methoxy-2-methyl-: ACTIVE
Anwendungen · 2 Einträge

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

VerwendenThe 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.

Darstellung · 1 Eintrag

synthetische2-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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 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.

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