2,4-Dimethylbenzylalkohol

2,4-Dimethylbenzyl alcohol

HCID 27809CAS 16308-92-2

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Grundinformationen

Standard-SMILES: Cc1ccc(CO)c(C)c1
InChIKey: QUIMJTKRVOBTQN-UHFFFAOYSA-N
Summenformel: C9H12O
Durchschnittliche Molmasse: 136,19 g/mol
Monoisotopische Masse: 136,088815

Überblick

2,4-dimethylbenzyl alcohol is a methylbenzyl alcohol that is benzyl alcohol substituted by methyl groups at positions 2 and 4. It has a role as a xenobiotic metabolite and a rat metabolite. It is a methylbenzyl alcohol and an aromatic primary alcohol.

Namen und Bezeichner

Bevorzugter Name: 2,4-Dimethylbenzyl alcohol
IUPAC: (2,4-dimethylphenyl)methanol
Lokaler Name: 2,4-Dimethylbenzylalkohol
Englischer Name: 2,4-Dimethylbenzyl alcohol
Summenformel: C9H12O
Molmasse: 136.19

Namen und Synonyme

16308-92-22,4-DIMETHYLBENZYL ALCOHOLBenzenemethanol, 2,4-dimethyl-EINECS 240-393-8AI3-21159DTXSID90167510RefChem:443777DTXCID4090001240-393-8(2,4-Dimethylphenyl)methanol2,4-Dimethylbenzenemethanol(2,4-Dimethyl-phenyl)-methanol

Weitere Namen anzeigen

RARECHEM AL BD 00482,4-DIMETHYLPHENYL METHANOL2,4-DimethylbenzylAlcohol>Benzyl alcohol, 2,4-dimethyl-2,4-Dimethylbenzyl alcohol,90%

MFCD00004624Benzyl alcohol, 2,4-dimethyl-2,4 -dimethylbenzyl alcoholAKOS000249316CS-0128392EN300-140495SCHEMBL95786SCHEMBL95787

Datenbank-Bezeichner

CAS: 16308-92-2
PubChem CID: 27809
DTXSID: DTXSID90167510
ChEBI: CHEBI:231516
EC Number: 240-393-8
Nikkaji: J101.201K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 101

Physikochemische Eigenschaften

Schmelzpunkt: 22 °C · 22°C
Siedepunkt: 120 °C13 · 120 °C13 mm Hg(lit.)
Dichte: 1.031 · 1.0310
Brechungsindex: 20 · n20/D 1.534(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid After Melting
pka: 14.5 · 14.50±0.10(Predicted)
Farbe: Clear colorless to slightly yellow
BRN: 1859679 · 1859679
LogP: 2.049 · 2.049 (est)
CAS Datenbank: 16308 · 16308-92-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzenemethanol, 2,4-dimethyl-

Benzenemethanol, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29062990
safety_code: 24/25

Chemie und Industrie

Anwendungen

Verwenden2,4-Dimethylbenzyl alcohol is an aryl alcohol that can be used in the preparation of aldehydes, ketones and esters by oxidation reactions. It is also used in the preparation of thermoplastic polymers.