4-Methylcyclohexancarbonsure

4-METHYL-CYCLOHEXANECARBOXYLIC ACID · Cyclohexanecarboxylic acid,4-methyl- · 4-METHYL-1-CYCLOHEXANECARBOXYLIC ACID · 4-Methylcyclohexanecarboxylic Acid 4-Methyl-1-cyclohexanecarboxylic acid 99% · 4-Methyl-1-cyclohexanecarboxylic acid 95+% · trans-4-Methyl-1-cyclohexanecarboxylic acid · 4-METHYL-1-CYCLOHEXANECARBOXYLICACID(CIS+TRANS) · 4-MethylcyclohexanecarboxylicAcid(cis-andtrans-mixture)>4-Methylcyclohexanecarboxylic acid,mixture of cis and trans

https://huagongshe.com/de/chemical/20330

Molekülstruktur von 4-Methylcyclohexancarbonsure

Identifikatoren & physikalische Daten

CAS No.	13064-83-0
Summenformel	C8H14O2
Durchschnittliche Molmasse	142,2 g/mol
Monoisotopische Masse	142,09937969 g/mol
SMILES	CC1CCC(C(=O)O)CC1
InChIKey	QTDXSEZXAPHVBI-UHFFFAOYSA-N
PubChem CID	20330
EC No.	213-289-5
DTXSID	DTXSID80195822
Lokaler Name	4-Methylcyclohexancarbonsure

Chemische & physikalische Eigenschaften

XLogP	2,1
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	10
Formalladung	0
Komplexität	123
Schmelzpunkt	110 °C
Siedepunkt	134-136 °C/15 mmHg (lit.)
Dichte	1.005 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.4598(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform, DMSO, Methanol
pKa (Säurekonstante)	4.92±0.10(Predicted)
Aggregatzustand	Oil
Farbe	Clear Colorless
InChI	InChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey	QTDXSEZXAPHVBI-UHFFFAOYSA-N
SMILES	C1(C(O)=O)CCC(C)CC1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard Classes and Categories	Skin Irrit. 2 (100%)Acute Tox. 4 (97.6%)
Wassergefährdungsklasse (WGK)	2
Zollcode	29162090
R-Sätze (R)	22-36
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralEye Irrit. 2

Anwendungen & Verwendung

Verwenden

4-Methyl-1-cyclohexanecarboxylic acid was used to investigate the palladium core-porous silica shell-nanoparticles catalyzed hydrogenation of 4-carboxybenzaldehyde (4-CBA) to p-toluic acid. It was also used in the synthesis of substituted cyclohexyl carbonyl chlorides.