2,6-Dimethoxyphenol

HCID 7041CAS 91-10-1
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Grundinformationen

Standard-SMILES
COc1cccc(OC)c1O
InChIKey
KLIDCXVFHGNTTM-UHFFFAOYSA-N
Summenformel
C8H10O3
Durchschnittliche Molmasse
154,16 g/mol
Monoisotopische Masse
154,06299418

Überblick

2,6-dimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6. It has a role as a plant metabolite. It is a member of phenols and a dimethoxybenzene.

Namen und Bezeichner

Bevorzugter Name
2,6-Dimethoxyphenol
IUPAC
2,6-dimethoxyphenol
Lokaler Name
2,6-Dimethoxyphenol
Englischer Name
2,6-Dimethoxyphenol
Summenformel
C8H10O3
Molmasse
154.16

Namen und Synonyme

2,6-DIMETHOXYPHENOL91-10-1SyringolPyrogallol 1,3-dimethyl etherPhenol, 2,6-dimethoxy-1,3-Dimethoxy-2-hydroxybenzene2-Hydroxy-1,3-dimethoxybenzene1,3-Dimethyl pyrogallate1,3-Di-o-methylpyrogallolPyrogallol dimethyletherFEMA No. 3137DTXSID2052607
Weitere Namen anzeigen
MCPDimethoxyphenol2,6-Dimethoxyphenol (syringol)2,6-DimethoxyphenylNatural 2,6-DimethoxyphenolAHUS2MIC10
4UQT464H8KCHEBI:955DTXCID0031180RefChem:83270202-041-1Aldrich2,6-Dwumetoksyfenol2,6-dimethoxy phenol

Datenbank-Bezeichner

CAS
91-10-1
PubChem CID
7041
DTXSID
DTXSID2052607
ChEMBL
CHEMBL109652
ChEBI
CHEBI:955
UNII
4UQT464H8K
EC Number
202-041-1
Nikkaji
J27.321J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,1
Polarare Oberfläche (TPSA)
38,7 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Aromatic Compounds
FragrancesFragrance Ingredient (2,6-Dimethoxyphenol) -> IFRA transparency List
LogP · 2 Einträge

1.15

1.15

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 3 Einträge

17.2 mg/mL at 13 °C

slightly soluble in water; soluble in oils

moderately soluble (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt
50 · 50-57 °C(lit.)
Siedepunkt
261 °C · 261 °C(lit.)
Dichte
1.169 · 1.1690 (rough estimate)
Brechungsindex
1.4745 · 1.4745 (estimate)
FEMA
3137 · 3137 | 2,6-DIMETHOXYPHENOL
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1711) of reports.

Warning

H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1711 reports by companies from 12 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Phenol, 2,6-dimethoxy-

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

Status: Active Update: 27-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24958

Phenol, 2,6-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Causes somnolence and dyspnea in intravenous lethal-dose study of cats; Causes general anesthesia in oral lethal-dose study of rats; Causes weight loss in 36-day oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Harmful by ingestion and skin absorption; [Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (> 99.9%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 1
hs_code
29095090
RTECS-Nr.
SL0900000
risk_code
22-36/37/38

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification · 6 Einträge

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 InformationPhenol, 2,6-dimethoxy-: ACTIVE
Anwendungen · 2 Einträge

OccurrenceReported found in beechwood tar creosote, onion, garlic, leek, chive, nira (Allium tuberosum Rotti), nobira (Allium grayi Regal) and caucus (Allium victoralis L.)

Verwenden2,6-Dimethoxyphenol has been used as a metabolite of lignin depolymerisation.It is also used as flavoring agent or adjuvant.It is reported to be the single most important flavor chemical in smoke flavors. It is used in smoke flavors, whisky, rum, tea, spice, savory, seafood, meat, liquorices, coffee, and nut flavors.

Darstellung

synthetische2,6-Dimethoxyphenol is prepared by reacting pyrogallol with methyl iodide in alkaline aqueous medium; by demethylation of pyrogallol trimethyl ether in aqueous alkali or in alcohol.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
南京凯天化工有限公司+86 (25) 5860-8846 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 2,6-dimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6. It has a role as a plant metabolite. It is a member of phenols and a dimethoxybenzene.

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