2-Isopropyl-5-methylanisol
Thymyl methyl ether
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Grundinformationen
- CAS
1076-56-8- Standard-SMILES
COc1cc(C)ccc1C(C)C- InChIKey
LSQXNMXDFRRDSJ-UHFFFAOYSA-N- Summenformel
- C11H16O
- Durchschnittliche Molmasse
- 164,24 g/mol
- Monoisotopische Masse
- 164,12011513
Überblick
Thymol methyl ether is a monoterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- Thymyl methyl ether
- IUPAC
- 2-methoxy-4-methyl-1-propan-2-ylbenzene
- Lokaler Name
- 2-Isopropyl-5-methylanisol
- Englischer Name
- 2-Isopropyl-5-methylanisole
- Summenformel
- C11H16O
- Molmasse
- 164.24
Namen und Synonyme
Thymyl methyl etherRefChem:4739012-Isopropyl-5-methylanisole1076-56-8Thymol methyl etherO-MethylthymolMethyl thymyl ether1-Isopropyl-2-methoxy-4-methylbenzeneMethyl thymol ether3-Methoxy-p-cymene4-Isopropyl-3-methoxytoluene2-methoxy-4-methyl-1-propan-2-ylbenzene
Weitere Namen anzeigen
Benzene,2-methoxy-4-methyl-1-(1-methylethyl)-FEMA 3436NSC 404221thymol Me ether
Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-methylthymol1-Methyl-3-methoxy-4-isopropylbenzeneANISOLE, 2-ISOPROPYL-5-METHYL-FEMA No. 34362-methoxy-4-methyl-1-(propan-2-yl)benzene2-Methoxy-4-methyl-1-(1-methylethyl)benzeneThymol methyl
Datenbank-Bezeichner
- CAS
1076-56-8- PubChem CID
- 14104
- DTXSID
DTXSID5047617- ChEMBL
CHEMBL2424841- ChEBI
CHEBI:167336- UNII
- VTE0C4390U
- EC Number
- 214-063-9
- Nikkaji
- J217.197J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 131
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (1-Methyl-3-methoxy-4-isopropylbenzene) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.936-0.940
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in oils
soluble (in ethanol)
Boiling Point
214.00 to 216.00 °C. @ 760.00 mm Hg
216 °C
Refractive Index1.504-1.508
Physical Descriptioncolourless, oily liquid with a warm-spicy rooty herbaceous note
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 71.1% (133 of 187) of all reports.
Warning
H226 (28.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 187 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (28.9%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2909309090
- RTECS-Nr.
- BZ8770000
- risk_code
- 10-36/37/38
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
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, 2-methoxy-4-methyl-1-(1-methylethyl)-: ACTIVE
Anwendungen
BeschreibungMay be prepared from thymol and dimethylsulfate in alkaline solution; from sodium thymolate with dimethylsulfate in water.
OccurrenceIn the oils of French Christinium maritinium, Orhodon madai, O. hirtum, O. tenuicaule, O. japonicum albiflorum, O. pseudohirtum, O. goshizanese, Eupatorium fortunei, and Monarda punctata. Also reported found in tangerine peel oil, thyme, clove leaf, ginger and sweet marjoram
Verwenden2-Isopropyl-5-methylanisole can be used for antifungal and antibiofilm activities. 2-Isopropyl-5-methylanisolemay serve as a modifier in mildly spicy fragrances, as a companion to Methyleugenol for “Tea-Like” notes, in Chypre or Fougere variations, in detergent fragrances, etc.
Darstellung
synthetischeFrom thymol and dimethylsulfate in alkaline solution; from sodium thymolate with dimethylsulfate in water.
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