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HCID 3628413Erstellt: 25. Oktober 2026

4-(6-Hydroxyhexyloxy)benzoic acid

4-(6-Hydroxyhexyloxy)benzoic acid · p-[(6-Hydroxyhexyl)oxy]benzoic acid · 4-(6-Hydroxyhex-1-yloxy)benzoic acid · Benzoic acid, 4-[(6-hydroxyhexyl)oxy]-

https://huagongshe.com/de/chemical/3628413

Molekülstruktur von 4-(6-Hydroxyhexyloxy)benzoic acid

Identifikatoren & physikalische Daten

CAS No.83883-25-4
SummenformelC13H18O4
Durchschnittliche Molmasse238,28 g/mol
Monoisotopische Masse238,12050906 g/mol
SMILESO=C(O)c1ccc(OCCCCCCO)cc1
InChIKeyVVYHWYFUTOHXRH-UHFFFAOYSA-N
PubChem CID3628413
EC No.617-498-6
DTXSIDDTXSID20394458

Chemische & physikalische Eigenschaften

XLogP3,1
Polarare Oberfläche (TPSA)66,8
H-Brücken-Donoren2
H-Brücken-Akzeptoren4
Frei drehbare Bindungen8
Schwere Atome17
Formalladung0
Komplexität209
Schmelzpunkt139-140℃
Siedepunkt418.3±25.0 °C(Predicted)
Dichte1.156
Lagerbedingungen2-8°C
Aggregatzustandpowder to crystaline
pKa (Säurekonstante)4.48±0.10(Predicted)
FarbeWhite to Almost white
InChIInChI=1S/C13H18O4/c14-9-3-1-2-4-10-17-12-7-5-11(6-8-12)13(15)16/h5-8,14H,1-4,9-10H2,(H,15,16)
InChIKeyVVYHWYFUTOHXRH-UHFFFAOYSA-N
SMILESC(O)(=O)C1=CC=C(OCCCCCCO)C=C1

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, 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.
Regulatorische InformationenStatus: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25865
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Zollcode2918.99.4700