1-(1,3-Dioxaindan-5-yl)ethan-1-ol

HCID 221882CAS 6329-73-3

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Grundinformationen

Standard-SMILES: CC(O)c1ccc2c(c1)OCO2
InChIKey: ZHKALZZEGVFZQA-UHFFFAOYSA-N
Summenformel: C9H10O3
Durchschnittliche Molmasse: 166,17 g/mol
Monoisotopische Masse: 166,06299418

Namen und Bezeichner

Bevorzugter Name: 1-(1,3-Dioxaindan-5-yl)ethan-1-ol
IUPAC: 1-(1,3-benzodioxol-5-yl)ethanol
Englischer Name: 1-(3,4-METHYLENEDIOXYPHENYL)ETHANOL
Summenformel: C9H10O3
Molmasse: 166.17

Namen und Synonyme

1-(1,3-dioxaindan-5-yl)ethan-1-olRefChem:419380101-458-56329-73-31-(2H-1,3-benzodioxol-5-yl)ethan-1-ol1-(Benzo[d][1,3]dioxol-5-yl)ethanol1-(1,3-benzodioxol-5-yl)ethanol1-(benzo[d][1,3]dioxol-5-yl)ethan-1-olMFCD111493801-(3,4-methylenedioxyphenyl)ethanolNSC6988METHYLPIPERONYLALKOHOL

Weitere Namen anzeigen

1-benzo[1,3]dioxol-5-yl-ethanol1,3-Benzodioxole-5-Methanol, α-Methyl-1,3-Benzodioxole-5-Methanol, alpha-Methyl-1-(2H-1,3-Benzodioxol-5-Yl)Ethan-1-Ol(WX642068)1-(Benzo[d][1,3]dioxol-5-yl)ethan-1-ol - [B93690]

SCHEMBL1155200NSC-6988AKOS000249114AKOS0168442161-[3,4-(Methylenedioxy)phenyl]ethanolEN300-45408W105441,3-Benzodioxole-5-methanol, a-methyl-, (R)-

Datenbank-Bezeichner

CAS: 6329-73-3
PubChem CID: 221882
DTXSID: DTXSID60278304
EC Number: 101-458-5
Nikkaji: J882.477K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Siedepunkt: 146 · 146-148 °C(Press: 17 Torr)
Dichte: 1.262 · 1.262±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 14.427 · 14.427±0.20(predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 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.