Homovanillyl alcohol (HCID 16928)

Namen und Bezeichner

Bevorzugter Name: Homovanillyl alcohol
IUPAC: 4-(2-hydroxyethyl)-2-methoxyphenol
Englischer Name: Homovanillyl alcohol
Summenformel: C9H12O3
Molmasse: 168.19

Namen und Synonyme

Homovanillyl alcohol2380-78-14-(2-Hydroxyethyl)-2-methoxyphenol3-METHOXY-4-HYDROXYPHENYLETHANOLBenzeneethanol, 4-hydroxy-3-methoxy-MOPET9A7EE8MS6ADTXSID40178494MHPERefChem:788469Hydroxymethoxyphenethyl AlcoholAlcohol, Hydroxymethoxyphenethyl

Weitere Namen anzeigen

Mechanistically2-(4-guaiacyl)-ethanolVilanterol Impurity 77Homovanillyl alcohol,99%Homovanillyl alcohol 99%2-(4Fluorophenoxy)ethanol3,4-Dibromobenzyl alcohol

3 Methoxy 4 hydroxyphenylethanolDTXCID70100985219-175-1Methoxyhydroxyphenylethanol4-Hydroxy-3-methoxyphenethanolVanillylmethanolGuaiacyl ethanol4-(2-Hydroxyethyl)guaiacol

Datenbank-Bezeichner

CAS: 2380-78-1
PubChem CID: 16928
DTXSID: DTXSID40178494
ChEMBL: CHEMBL3747068
ChEBI: CHEBI:173769
UNII: 9A7EE8MS6A
EC Number: 219-175-1
Nikkaji: J172D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 127

Experimentelle und physikochemische Eigenschaften

LogP0.47

Melting Point40 - 42 °C

Physical DescriptionSolid

Kovats Retention Index · 2 Einträge

1534；1542；1526；1530

2830；2830；2807；2786；2805；2802

Physikochemische Eigenschaften

Schmelzpunkt: 40 · 40-42 °C(lit.)
Siedepunkt: 316.8 · 316.8±27.0 °C(Predicted)
Dichte: 1.182 · 1.182±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 10.23 · 10.23±0.18(Predicted)
Farbe: White to Off-White
InChI: 1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
InChIKey: XHUBSJRBOQIZNI-UHFFFAOYSA-N
SMILES: COc1cc(CCO)ccc1O
LogP: 0.47 · 0.470
CAS Datenbank: 2380 · 2380-78-1(CAS DataBase Reference)
NIST chemische Informationen: Homovanillyl alcohol(2380-78-1)

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

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

Sicherheitsdaten

wgk: 3
hs_code: 2909500090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular

Anwendungen · 1 Eintrag

VerwendenHomovanillyl alcohol is a biological metabolite of Hydroxytyrosol. Hydroxytyrosol is a phenolic compound that is present in virgin olive oil (VOO) and wine. Homovanillyl alcohol protects red blood cells (RBCs) from oxidative injury and has protective effect on cardiovascular disease. It was used in the preparation of galactosides.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

3,4-Dimethoxyphenol

Anbieter50 Anbieter

銘瑞集團有限公司17318633522 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

江苏星科元信息科技有限公司400-605-7200 15335295587

Ergänzende Hinweise

DefinitionChEBI: Homovanillyl alcohol is a member of methoxybenzenes and a member of phenols.It is a key component of QMP, has been shown to modulate aversive learning behavior in young worker bees.