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HCID 1715134Erstellt: 3. November 2026

(S)-7-hydroxy-3,7-dimethyloctanal

Methoxyprotene impurity 4 · Methoxyprene impurities 4 · Octanal, 7-hydroxy-3,7-dimethyl-, (3S)-

https://huagongshe.com/de/chemical/1715134

Molekülstruktur von (S)-7-hydroxy-3,7-dimethyloctanal

Identifikatoren & physikalische Daten

CAS No.34212-53-8
SummenformelC10H20O2
Durchschnittliche Molmasse172,26 g/mol
Monoisotopische Masse172,14632988 g/mol
SMILESC[C@H](CC=O)CCCC(C)(C)O
InChIKeyWPFVBOQKRVRMJB-VIFPVBQESA-N
PubChem CID1715134
EC No.829-246-4
DTXSIDDTXSID601335581

Chemische & physikalische Eigenschaften

XLogP1,6
Polarare Oberfläche (TPSA)37,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen6
Schwere Atome12
Formalladung0
Komplexität130
ArzneimittelPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesOptical coefficient
Siedepunkt250.2℃ at 101.325kPa
Dichte0.922 at 20℃
Dampfdruck0.547-100Pa at 20-82.28℃
AggregatzustandLiquid
Geruchat 100.00%. floral
LogP (Verteilungskoeffizient)1.68-2.11 at 25-40℃ and pH7.2

Sicherheit & Vorschriften

GHS-EinstufungWarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenREACH registered substance: (S)-7-hydroxy-3,7-dimethyloctanal (EC: 829-246-4)
Hazard Classes and CategoriesSkin Sens. 1B (100%)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H317