Grundinformationen
- CAS
103-05-9- Standard-SMILES
CC(C)(O)CCc1ccccc1- InChIKey
YXVSKJDFNJFXAJ-UHFFFAOYSA-N- Summenformel
- C11H16O
- Durchschnittliche Molmasse
- 164,24 g/mol
- Monoisotopische Masse
- 164,12011513
Überblick
2-methyl-4-phenyl-2-butanol is a tertiary alcohol that is benzene substituted by a 3-hydroxy-3-methylbutyl group. It has a role as a flavouring agent and a fragrance. It is a member of benzenes and a tertiary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-4-phenyl-2-butanol
- IUPAC
- 2-methyl-4-phenylbutan-2-ol
- Lokaler Name
- 2-Methyl-4-phenylbutan-2-ol
- Englischer Name
- 2-Methyl-4-phenyl-2-butanol
- Summenformel
- C11H16O
- Molmasse
- 164.24
Namen und Synonyme
2-Methyl-4-phenyl-2-butanol103-05-92-Methyl-4-phenylbutan-2-ol1,1-Dimethyl-3-phenylpropanol1,1-Dimethyl-3-phenyl-1-propanol2-(2-Phenylethyl)-2-propanolalpha,alpha-DimethylbenzenepropanolFEMA No. 36291-Propanol, 1,1-dimethyl-3-phenyl-DTXSID3021851Benzenepropanol, alpha,alpha-dimethyl-9Y5UX90TZ4
Weitere Namen anzeigen
Benzenepropanol, .alpha.,.alpha.-dimethyl-muguet carbinolα,α-Dimethylbenzenepropanol2-methyl-4-phenyl-butan-2-olPhenylethyl dimethyl carbinolFEMA 3629
NSC-62145DTXCID601851RefChem:475594203-074-4Benzyl-tert-butanolDimethylphenylethylcarbinolBenzyl-t-butanolDimethylphenethylcarbinol
Datenbank-Bezeichner
- CAS
103-05-9- PubChem CID
- 7632
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 123
Experimentelle und physikochemische Eigenschaften
CosmeticsMasking
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (2-Methyl-4-phenyl-2-butanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.960-0.966
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fats; Slightly soluble in water
Soluble (in ethanol)
Boiling Point144 °C (85 mm Hg)
Melting Point29 - 30 °C
Refractive Index1.506-1.512
Physical Description
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 17.3% (311 of 1797) of reports.
Warning
H319 (79.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1797 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenepropanol, .alpha.,.alpha.-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 06-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22583
Benzenepropanol, .alpha.,.alpha.-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2A (79.9%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29062990
- RTECS-Nr.
- EL5785000
- risk_code
- 41
- Toxizität
- LD50 orl-rat: 2200 mg/kg FCTXAV 12,517,74
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Speicherklasse
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Household ProductsInformation on 5 consumer products that contain Methyl Phenylbutanol in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Masking
General Manufacturing InformationBenzenepropanol, .alpha.,.alpha.-dimethyl-: ACTIVE
Anwendungen
Beschreibung2-Methyl-4-phenyl-2-butanol has a floral green, fruity, linalool character with a mildly herbaceous odor. May be prepared by reaction of phenylethyl magnesium chloride with acetone.
OccurrenceHas apparently not been reported to occur in nature.
Verwenden2-Phenethyl-2-propanol is a useful reagent in preparation of phenyldimethylsilyl group as a masked hydroxy group.
Darstellung
synthetischeBy reaction of phenylethyl magnesium chloride with acetone
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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