p-Propylanisol
4-Propylanisole
Grundinformationen
- CAS
104-45-0- Standard-SMILES
CCCc1ccc(OC)cc1- InChIKey
KBHWKXNXTURZCD-UHFFFAOYSA-N- Summenformel
- C10H14O
- Durchschnittliche Molmasse
- 150,22 g/mol
- Monoisotopische Masse
- 150,10446507
Überblick
1-Methoxy-4-propylbenzene is a member of methoxybenzenes.
Namen und Bezeichner
- Bevorzugter Name
- 4-Propylanisole
- IUPAC
- 1-methoxy-4-propylbenzene
- Lokaler Name
- p-Propylanisol
- Englischer Name
- 4-n-Propylanisole
- Summenformel
- C10H14O
- Molmasse
- 150.22
Namen und Synonyme
4-Propylanisole1-Methoxy-4-propylbenzene104-45-0Dihydroanetholep-Propylanisolep-Propyl anisoleAnisole, p-propyl-Benzene, 1-methoxy-4-propyl-FEMA No. 2930DTXSID0042325932XJ1O77XNSC-37996
Weitere Namen anzeigen
FEMA 2930DIHYDROANETHOLp-propyl-anisolPropylanisol para
DTXCID8022325PARA-PROPYLANISOLERefChem:526579203-203-44-n-Propylanisolep-n-Propylanisolep-Propylmethoxybenzenep-n-Propyl anisole
Datenbank-Bezeichner
- CAS
104-45-0- PubChem CID
- 7702
- DTXSID
DTXSID0042325- ChEMBL
CHEMBL3185876- ChEBI
CHEBI:88473- UNII
- 932XJ1O77X
- EC Number
- 203-203-4
- Nikkaji
- J22.133C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 93
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (p-Propylanisole) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.940-0.943
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water, Miscible in oils
soluble (in ethanol)
Boiling Point
212.00 to 213.00 °C. @ 760.00 mm Hg
212-213 °C
Refractive Index1.503-1.506
Physical Descriptioncolourless to pale yellow liquid, Sweet herbaceous quite powerful 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 100% (1538 of 1538) of all reports.
Not Classified
Aggregated GHS information provided per 1538 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, 1-methoxy-4-propyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25412
Benzene, 1-methoxy-4-propyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
- RTECS-Nr.
- BZ9450000
- risk_code
- 51/53
- Toxizität
- The acute oral LD50 value was reported as 4.4 g/kg (3.38-5.72 g/kg) in the rat and as 7.30 g/kg (5.93-9.00 g/kg) in the mouse (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Levenstein, 1974).
- hazard_code
- N
- safety_code
- 61
- Speicherklasse
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Household ProductsInformation on 1 consumer products that contain Dihydroanethole 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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzene, 1-methoxy-4-propyl-: ACTIVE
Anwendungen
OccurrenceReported found in katsuobishi (dried bonito).
VerwendenThe malerial is more stable in soap than Anethole. It finds some application in perfume compositions. particularly in low-cost masking odors for industrial purposes, detergent perfumes, household fragrances, etc. It is used in flavor compositions for Licor-ice, Rootbeer, Birchbeer, Spice blends, Vanilla imitation, Wintcrgreen, etc.
Darstellung
synthetischeBy partial hydrogenation of anethole in the presence of nickel at 60 to 95°C under pressure or under atmospheric pressure.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
4
Notizen zur Verbindung
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