2,4-Dimethylbenzylalkohol
2,4-Dimethylbenzyl alcohol
Grundinformationen
- CAS
16308-92-2- 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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- 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
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
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.
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