3,5-Dimethoxytoluol
3,5-Dimethoxytoluene
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Grundinformationen
- CAS
4179-19-5- Standard-SMILES
COc1cc(C)cc(OC)c1- InChIKey
RIZBLVRXRWHLFA-UHFFFAOYSA-N- Summenformel
- C9H12O2
- Durchschnittliche Molmasse
- 152,19 g/mol
- Monoisotopische Masse
- 152,08372962
Überblick
3,5-dimethoxytoluene is a member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties. It has a role as a fragrance and a plant metabolite. It is a member of toluenes and a member of methoxybenzenes.
Namen und Bezeichner
- Bevorzugter Name
- 3,5-Dimethoxytoluene
- IUPAC
- 1,3-dimethoxy-5-methylbenzene
- Lokaler Name
- 3,5-Dimethoxytoluol
- Englischer Name
- 3,5-Dimethoxytoluene
- Summenformel
- C9H12O2
- Molmasse
- 152.19
Namen und Synonyme
3,5-Dimethoxytoluene4179-19-51,3-Dimethoxy-5-methylbenzeneOrcinol dimethyl etherBenzene, 1,3-dimethoxy-5-methyl-5-Methylresorcinol dimethyl etherToluene, 3,5-dimethoxy-NSC-72352L7P9D5C5RGDTXSID8063339CHEBI:141217RefChem:91575
Weitere Namen anzeigen
SKL3053,5-Dimethoxytoluene,99%3,5-Dimethoxytoluene >3,5-DiMethoxytoluene, GC 98%1,3-dimethoxy-5-methyl-benzen3,5-Dimethoxy-1-methylbenzene
DTXCID0039988224-048-9MFCD000154353,5-dimethoxy toluene5-methyl-1,3-dimethoxybenzene1-Methyl-3,5-dimethoxybenzene1,3-dimethoxy-5-methyl-benzeneAKOS006222974
Datenbank-Bezeichner
- CAS
4179-19-5- PubChem CID
- 77844
- DTXSID
DTXSID8063339
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 18,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 102
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (3,5-Dimethoxytoluene) -> IFRA transparency List
Physikochemische Eigenschaften
- Schmelzpunkt
- 61 · 61-62 C
- Siedepunkt
- 244 °C · 244 °C (lit.)
- Dichte
- 1.039 g/mL · 1.039 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.522(lit.)
- Flammpunkt
- 215 °F · 215 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Sparingly), Methanol (Sparingly)
- Aggregatzustand
- Liquid
- Wichte
- 1.039 · 1.039
- Farbe
- Clear colorless to yellow
- Geruch (Odor)
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 0.2% (3 of 1420) of reports.
Warning
H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1420 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, 1,3-dimethoxy-5-methyl-
Benzene, 1,3-dimethoxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzene, 1,3-dimethoxy-5-methyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (99.8%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29093090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzene, 1,3-dimethoxy-5-methyl-: ACTIVE
Anwendungen
Verwenden3,5-Dimethoxytoluene (DMT) may be used in the synthesis of 3,5-dimethoxybenzoic acid by oxidation and 2-methoxy-6-methyl-1,4-benzoquinone by catalytic oxidation with hydrogen peroxide (H2O2)/methyltrioxorhenium (CH3ReO3) in dimethyl carbonate (DMC).
Verwenden3,5-Dimethoxytoluene has been suggested for use in perfume compositions as supporting note for Oakmoss and Vetiver, and as a novel note in Chypre, Fougere and Oriental fragrance types.
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