2,3,5-Trimethylphenol｜Huagongshe

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HCID 12769Erstellt: 27. Oktober 2026

2,3,5-Trimethylphenol

https://huagongshe.com/de/chemical/12769

Molekülstruktur von 2,3,5-Trimethylphenol

Identifikatoren & physikalische Daten

CAS No.	697-82-5
Summenformel	C9H12O
Durchschnittliche Molmasse	136,19 g/mol
Monoisotopische Masse	136,088815 g/mol
SMILES	Cc1cc(C)c(C)c(O)c1
InChIKey	OGRAOKJKVGDSFR-UHFFFAOYSA-N
PubChem CID	12769
ChEMBL	CHEMBL3182604
ChEBI	CHEBI:38570
EC No.	211-806-9
DTXSID	DTXSID3047184

Chemische & physikalische Eigenschaften

XLogP	2,7
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	111
Physical Description	Beige fibers or powder[Alfa Aesar MSDS]
Kovats Retention Index	12351236124612601278124712421276.11277.21279.7127512961275.61267.51273214.7217.22222822112248
Schmelzpunkt	93.5 °C
Siedepunkt	230.5 °C
Dichte	0.996±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	10.53±0.15(Predicted)

Sicherheit & Vorschriften

Alarmwort
GHS-Einstufung	DangerH314 (37.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (62.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (62.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (57.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 157 reports by companies from 12 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.
Regulatorische Informationen	Chemical: Phenol, 2,3,5-trimethyl-Status: Active Update: 26-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19015Status: Active Update: 26-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/319662,3,5-Trimethylphenol: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS]
Hazard Classes and Categories	Skin Corr. 1C (37.6%)Skin Irrit. 2 (62.4%)Eye Irrit. 2 (62.4%)STOT SE 3 (57.3%)
Unerwünschte Wirkungen	Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.