3,5-Dimethoxybenzylalkohol

3,5-Dimethoxybenzyl alcohol

HCID 69718CAS 705-76-0

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Grundinformationen

Standard-SMILES: COc1cc(CO)cc(OC)c1
InChIKey: AUDBREYGQOXIFT-UHFFFAOYSA-N
Summenformel: C9H12O3
Durchschnittliche Molmasse: 168,19 g/mol
Monoisotopische Masse: 168,07864424

Namen und Bezeichner

Bevorzugter Name: 3,5-Dimethoxybenzyl alcohol
IUPAC: (3,5-dimethoxyphenyl)methanol
Lokaler Name: 3,5-Dimethoxybenzylalkohol
Englischer Name: 3,5-Dimethoxybenzyl alcohol
Summenformel: C9H12O3
Molmasse: 168.19

Namen und Synonyme

3,5-Dimethoxybenzyl alcohol705-76-03,5-DimethoxybenzenemethanolEINECS 211-888-6DTXSID80220769RefChem:486898DTXCID60143260211-888-6(3,5-Dimethoxyphenyl)methanol3,5-DimethoxybenzylalcoholBenzenemethanol, 3,5-dimethoxy-MFCD00004641

Weitere Namen anzeigen

3,5-DimethoxybenzylRARECHEM AL BD 00653,5-DIMETHOXYBENZYL ALCOHOLE3,5-dimethoxybenzenemethylol3,5-DimethoxybenzylAlcohol>3,5-Dimethoxybenzyl alcohol 99%

AS039753,5-Dimethoxybenzenemethanol;3,5-Dimethoxy Benzyl Alcohol(3,5-dimethoxyphenyl)methan-1-ol3,5-dimethoxy-benzylalcohol3,5-Dimethoxy benzylalcoholTEY3289PFVSCHEMBL65276

Datenbank-Bezeichner

CAS: 705-76-0
PubChem CID: 69718
DTXSID: DTXSID80220769
UNII: TEY3289PFV
EC Number: 211-888-6
Nikkaji: J149.883E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 115

Physikochemische Eigenschaften

Schmelzpunkt: 43 · 43-46 °C(lit.)
Siedepunkt: 183 · 183-186°C 20mm
Dichte: 1.1322 · 1.1322 (rough estimate)
Brechungsindex: 1.547 · 1.5470 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 14.24 · 14.24±0.10(Predicted)
Farbe: White to Off-White
BRN: 1866305 · 1866305
InChI: InChI=1S/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3
InChIKey: AUDBREYGQOXIFT-UHFFFAOYSA-N
SMILES: C1(CO)=CC(OC)=CC(OC)=C1
LogP: 1.102 · 1.102 (est)
CAS Datenbank: 705 · 705-76-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29094990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung3,5-Dimethoxybenzyl alcohol (L1 OH) is an important pharmaceutical intermediate and also the starting material for the family of dendritic polymers LnOH (the integer n indicates the number of ‘branching’ layers). 3,5-Dimethoxybenzyl alcohol can be used as an organic synthesis raw material to prepare compounds such as 3,5-Dimethoxybenzonitrile, 3-hydroxy-5-methoxybenzaldehyde, and 5,7-Dimethoxyindan-1-one.

Verwenden3,5-Dimethoxybenzyl Alcohol is used in the synthesis of Resveratrol (R150000).