Grundinformationen
- Standard-SMILES
Cc1ccccc1CCO- InChIKey
RUGISKODRCWQNE-UHFFFAOYSA-N- Summenformel
- C9H12O
- Durchschnittliche Molmasse
- 136,19 g/mol
- Monoisotopische Masse
- 136,088815
Namen und Bezeichner
- Bevorzugter Name
- 2-Methylphenethyl alcohol
- IUPAC
- 2-(2-methylphenyl)ethanol
- Lokaler Name
- 2-o-Tolylethanol
- Englischer Name
- 2-Methylphenethyl alcohol
- Summenformel
- C9H12O
- Molmasse
- 136.19
Namen und Synonyme
2-Methylphenethyl alcohol19819-98-82-(2-Methylphenyl)ethanolBenzeneethanol, 2-methyl-o-Methylphenethyl alcohol2-o-TolylethanolPhenethyl alcohol, o-methyl-2-MethylbenzeneethanolDTXSID1047071UNII-VX8700JGJPVX8700JGJPPEOMOSA
Weitere Namen anzeigen
peony alcohol2-Methylphenylethanolo-Methylphenylethanol2-methylbenzenethanol2-methyl-benzeneethano2-methyl-Benzeneethanol
EINECS 243-349-6NSC 409882NSC-409882Phenethyl alcohol, 2'-methylAI3-07014J149.931IDTXCID9027071RefChem:88364
Datenbank-Bezeichner
- CAS
19819-98-8- PubChem CID
- 88267
- DTXSID
DTXSID1047071- ChEMBL
CHEMBL3182526- UNII
- VX8700JGJP
- EC Number
- 243-349-6
- Nikkaji
- J149.931I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 90,7
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (o-Tolylethanol) -> IFRA transparency List
Physikochemische Eigenschaften
- Schmelzpunkt
- 1 °C · 1°C
- Siedepunkt
- 243 · 243-244 °C(lit.)
- Dichte
- 1.016 g/mL · 1.016 g/mL at 25 °C(lit.)
- Dampfdruck
- 1.9 Pa · 1.9Pa at 24℃
- Brechungsindex
- 20 · n20/D 1.535(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.87 · 14.87±0.10(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Geruch (Odor)
- 100 % · at 100.00 %. natural floral rose peony waxy mimosa
- Geruchsart
- floral
- Wasserlöslichkeit
- 12.339 g/L · 12.339g/L at 24℃
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- InChI
- 1S/C9H12O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,10H,6-7H2,1H3
- InChIKey
- RUGISKODRCWQNE-UHFFFAOYSA-N
- SMILES
- Cc1ccccc1CCO
- LogP
- 2.1 at · 2.1 at 25℃
- CAS Datenbank
- 19819 · 19819-98-8(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Methylbenzeneethanol (19819-98-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.8% (1510 of 1513) of all reports.
Not Classified
Aggregated GHS information provided per 1513 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzeneethanol, 2-methyl-
Status: Active Update: 13-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19284
Benzeneethanol, 2-methyl-: 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 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, 2-methyl-: ACTIVE
Anwendungen
Verwenden2-Methylphenethyl alcohol may be used in chemical synthesis.
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