2-Phenylpropan-1-ol
2-Phenyl-1-propanol
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Grundinformationen
- CAS
1123-85-9- Standard-SMILES
CC(CO)c1ccccc1- InChIKey
RNDNSYIPLPAXAZ-UHFFFAOYSA-N- Summenformel
- C9H12O
- Durchschnittliche Molmasse
- 136,19 g/mol
- Monoisotopische Masse
- 136,088815
Überblick
2-Phenyl-1-propanol is a member of benzenes.
Namen und Bezeichner
- Bevorzugter Name
- 2-Phenyl-1-propanol
- IUPAC
- 2-phenylpropan-1-ol
- Lokaler Name
- 2-Phenylpropan-1-ol
- Englischer Name
- beta-Methylphenethyl alcohol
- Summenformel
- C9H12O
- Molmasse
- 136.19
Namen und Synonyme
2-Phenylpropan-1-ol2-Phenyl-1-propanol1123-85-9Hydratropic alcoholbeta-Methylphenethyl alcohol2-Phenylpropyl alcoholHydratropyl alcohol1-Hydroxy-2-phenylpropane2-Phenylpropanol-11-Propanol, 2-phenyl-Benzeneethanol, beta-methyl-FEMA No. 2732
Weitere Namen anzeigen
FEMA 27322-PHENYL PROPYL ALCOHOL3-Bromo-β2-phenylpropan-HYDRATROPAALKOHOLhydratropylalcohol
DTXSID8037756NSC-523227ZYZ88DWUPHENETHYL ALCOHOL, beta-METHYL-DTXCID6017756RefChem:478219214-379-7Benzeneethanol, .beta.-methyl-
Datenbank-Bezeichner
- CAS
1123-85-9- PubChem CID
- 14295
- DTXSID
DTXSID8037756- ChEMBL
CHEMBL2323841- ChEBI
CHEBI:193640- UNII
- 27ZYZ88DWU
- EC Number
- 214-379-7
- Nikkaji
- J69.580G
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 84,7
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Alcohols and Polyols, Other
FragrancesFragrance Ingredient (beta-Methylphenethyl alcohol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.971-0.978
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in oils; Slightly soluble in water
Soluble (in ethanol)
Boiling Point
113.00 to 114.00 °C. @ 14.00 mm Hg
219 °C
Refractive Index1.523-1.530
Physical Description
Colorless liquid; [Alfa Aesar MSDS]
Colourless liquid; Sweet floral lilac, hyacinth type aroma
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
This chemical does not meet GHS hazard criteria for 93.1% (268 of 288) of all reports.
Not Classified
Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzeneethanol, .beta.-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-phenylpropan-1-ol (EC: 214-379-7)
Benzeneethanol, .beta.-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
Hazards Summary
Causes changes in liver, bladder, and kidney weights, changes in erythrocyte count, normocytic anemia, and weight loss in 13-week oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29062900
- RTECS-Nr.
- SG8590000
- risk_code
- 22
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneethanol, .beta.-methyl-: ACTIVE
Anwendungen
Beschreibungβ-Methylphenethyl alcohol has a faint, aromatic odor reminiscent of hyacinth. May be prepared by reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known.
Verwenden2-Phenyl-1-propanol was used to study the synergism between enzyme catalysis and microwave irradiation.
Darstellung
synthetischeBy reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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Notizen zur Verbindung
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