3,5-Dimethoxytoluol

3,5-Dimethoxytoluene

HCID 77844CAS 4179-19-5
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Grundinformationen

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is a member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups.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
ChEBI
CHEBI:141217
UNII
L7P9D5C5RG
EC Number
224-048-9
Nikkaji
J133.176K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
18,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
11

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 2 Einträge

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

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzene, 1,3-dimethoxy-5-methyl-: ACTIVE
Anwendungen · 2 Einträge

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.

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]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

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