2-p-Tolylethanol

4-Methylphenethyl alcohol

HCID 95294CAS 699-02-5

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Grundinformationen

Standard-SMILES: Cc1ccc(CCO)cc1
InChIKey: DAVFJRVIVZOKKS-UHFFFAOYSA-N
Summenformel: C9H12O
Durchschnittliche Molmasse: 136,19 g/mol
Monoisotopische Masse: 136,088815

Namen und Bezeichner

Bevorzugter Name: 4-Methylphenethyl alcohol
IUPAC: 2-(4-methylphenyl)ethanol
Lokaler Name: 2-p-Tolylethanol
Englischer Name: 2-(4-Methylphenyl)ethanol
Summenformel: C9H12O
Molmasse: 136.19

Namen und Synonyme

699-02-52-(4-Methylphenyl)ethanol4-Methylphenethyl alcohol2-p-TolylethanolBenzeneethanol, 4-methyl-p-Methylphenethyl alcohol4-Methylbenzeneethanol2-(p-Methylphenyl)ethanolPhenethyl alcohol, p-methyl-p-Methylphenylethyl alcoholNSC 5295NSC 54360

Weitere Namen anzeigen

2-(P-TOLYL)ETHANOLtridecyl sulfate2-(p-Tolyl)ethanol>P-Methylphenylethanol4-methyl-benzeneethano4-methyl-Benzeneethanol

NSC-5295GG36R9LNV84-methylphenethanolP-(2-HYDROXYETHYL)TOLUENE4-methyl-1-(2-hydroxyethyl)benzeneEINECS 211-824-7NSC-54360AI3-05848

Datenbank-Bezeichner

CAS: 699-02-5
PubChem CID: 95294
DTXSID: DTXSID6061020
UNII: GG36R9LNV8
EC Number: 211-824-7
Nikkaji: J60.248E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 82,7

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (2-p-Tolylethanol) -> IFRA transparency List

Physikochemische Eigenschaften

Siedepunkt: 244 · 244-245 °C(lit.)
Dichte: 0.978 g/mL · 0.978 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.526(lit.)
Flammpunkt: 225 °F · 225 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 14.92 · 14.92±0.10(Predicted)
Wichte: 0.978 · 0.978
Farbe: Colorless to Light yellow to Light orange
Geruch (Odor): 100 % · at 100.00 %. floral balsamic rose green
Geruchsart: floral
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
InChI: InChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3
InChIKey: DAVFJRVIVZOKKS-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=C(C)C=C1
LogP: 2.032 · 2.032 (est)
CAS Datenbank: 699 · 699-02-5(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzeneethanol, 4-methyl- (699-02-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationChemical: Benzeneethanol, 4-methyl-

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29062990
safety_code: 24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFragrance Ingredients

General Manufacturing InformationBenzeneethanol, 4-methyl-: ACTIVE

Anwendungen · 2 Einträge

Beschreibung2-(4-Methylphenyl)ethanol, also known as 4-Methylphenethyl alcohol, 2-(p-Tolyl)ethanol, is an oily liquid that can promote bile secretion and protect the liver. It is capable of transporting fat from the liver to the extrahepatic fat pool via the bloodstream and has demonstrated a significant inhibitory effect on liver cell destruction caused by alcoholism.

Verwenden4-Methylphenethyl alcohol was used in the determination of adducts of 1,2- and 1,4-benzoquinone with cysteine residues of hemoglobin and albumin.

Darstellung · 1 Eintrag

synthetischeTo prepare 2-(4-Methylphenyl)ethanol, start with 4'-Methylacetophenone as the raw material. Reduce it to 4-methyl-α-phenylethanol using sodium borohydride in ethanol. Mix nicotinic acid with phosphorus oxychloride in pyridine to create nicotinyl chloride. Without separation, add the nicotinyl chloride to the 4-methyl-α-phenylethanol and esterify it into 2-(4-Methylphenyl)ethanol.