4-Isopropylresorcin

4-Isopropylbenzene-1,3-diol · Einecs 245-703-5 · 4-isopropylresorcinol · 54-IsoPropylresorcinol · 4-Isopropyl-1,3-benzenediol · 4-propan-2-ylbenzene-1,3-diol · 4-isopropylmetabenzenediphenol · 4-(1-Methylethyl)-1,3-benzenediol

https://huagongshe.com/de/chemical/90135

Identifikatoren & physikalische Daten

CAS No.	23504-03-2
Summenformel	C9H12O2
Durchschnittliche Molmasse	152,19 g/mol
Monoisotopische Masse	152,08372962 g/mol
SMILES	CC(C)c1ccc(O)cc1O
InChIKey	LNFVQIGQENWZQN-UHFFFAOYSA-N
PubChem CID	90135
EC No.	245-703-5
DTXSID	DTXSID40178070
Lokaler Name	4-Isopropylresorcin

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	123
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	105 °C
Siedepunkt	114 °C(Press: 0.2 Torr)
Dichte	1.116±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Sparingly), Methanol (Slightly)
pKa (Säurekonstante)	10.03±0.18(Predicted)
Aggregatzustand	solid
Farbe	Off-white
InChI	InChI=1S/C9H12O2/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6,10-11H,1-2H3
InChIKey	LNFVQIGQENWZQN-UHFFFAOYSA-N
SMILES	C1(O)=CC=C(C(C)C)C(O)=C1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2907290090
Gefahrenklasse	IRRITANT