4-Propyl-1,2-benzenediol

HCID 97638CAS 2525-02-2

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Grundinformationen

Standard-SMILES: CCCc1ccc(O)c(O)c1
InChIKey: SCTPZNJTGOGSQD-UHFFFAOYSA-N
Summenformel: C9H12O2
Durchschnittliche Molmasse: 152,19 g/mol
Monoisotopische Masse: 152,08372962

Namen und Bezeichner

Bevorzugter Name: 4-Propyl-1,2-benzenediol
IUPAC: 4-propylbenzene-1,2-diol
Englischer Name: 4-propylcatechol
Summenformel: C9H12O2
Molmasse: 152.19

Namen und Synonyme

4-Propylcatechol2525-02-24-Propyl-1,2-benzenediolGY7REF7DMBNSC-138937DTXSID60179903RefChem:526568DTXCID801023944-propylbenzene-1,2-diolMFCD008709851,2-Benzenediol, 4-propyl-4-propyl catechol

Weitere Namen anzeigen

4-Propylbenzen-1,2-diol1,2-Benzenediol,4-propyl-

4-n-propylcatecholUNII-GY7REF7DMB2-hydroxy-4-propylphenol4-propyl-2-hydroxyphenol4-propyl-1,2- benzenediolSCHEMBL57143orb3023743SCHEMBL5833388

Datenbank-Bezeichner

CAS: 2525-02-2
PubChem CID: 97638
DTXSID: DTXSID60179903
UNII: GY7REF7DMB
EC Number: 688-464-6
Nikkaji: J532.721K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Schmelzpunkt: 60 °C · 60°C
Siedepunkt: 234.66 °C · 234.66°C (rough estimate)
Dichte: 1.1 · 1.1000
Brechungsindex: 1.444 · 1.4440 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；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]；H411 (66.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]；H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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

Regulatory InformationStatus: Active Update: 18-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23089

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)；Aquatic Chronic 2 (66.7%)；Aquatic Chronic 3 (33.3%)