3-(3,4-Dimethoxyphenyl)propanol

3,4-Dimethoxybenzene-1-propanol · 3-(3,4-dimethoxyphenyl)propanol · Benzenepropanol, 3,4-dimethoxy- · 3-(3,4-Dimethoxyphenyl)-1-propanol · 3-(3,4-DIMETHOXY-PHENYL)-PROPAN-1-OL · 3-(3,4-Dimethoxyphenyl)propyl alcohol

https://huagongshe.com/de/chemical/77528

Molekülstruktur von 3-(3,4-Dimethoxyphenyl)propanol

Identifikatoren & physikalische Daten

CAS No.	3929-47-3
Summenformel	C11H16O3
Durchschnittliche Molmasse	196,24 g/mol
Monoisotopische Masse	196,10994437 g/mol
SMILES	COc1ccc(CCCO)cc1OC
InChIKey	ZISWRXJZUKDIOO-UHFFFAOYSA-N
PubChem CID	77528
ChEMBL	CHEMBL2088633
EC No.	223-499-9
DTXSID	DTXSID20192532
Lokaler Name	3-(3,4-Dimethoxyphenyl)propanol

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	38,7
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	14
Formalladung	0
Komplexität	149
Kovats Retention Index	1661
Siedepunkt	142-144 °C0.5 mm Hg(lit.)
Dichte	1.081 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.54(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	Store at room temperature
InChI	1S/C11H16O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKey	ZISWRXJZUKDIOO-UHFFFAOYSA-N
SMILES	COc1ccc(CCCO)cc1OC

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 exposureRespiratory 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Wassergefährdungsklasse (WGK)	3
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Verwenden

3-(3,4-Dimethoxyphenyl)-1-propanol was used in the synthesis of fluorinated benzamide neuroleptic, (S)-N-[(1-ethyl-2- pyrrolidinyl)methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide.