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HCID 7702Erstellt: 25. Oktober 2026

p-Propylanisol

FEMA 2930 · DIHYDROANETHOL · p-propyl-anisol · 4-PROPYLANISOLE · DIHYDROANETHOLE · P-PROPYL ANISOLE · p-n-Propylanisole · Propylanisol para

https://huagongshe.com/de/chemical/7702

Molekülstruktur von p-Propylanisol

Identifikatoren & physikalische Daten

CAS No.104-45-0
SummenformelC10H14O
Durchschnittliche Molmasse150,22 g/mol
Monoisotopische Masse150,10446507 g/mol
SMILESCCCc1ccc(OC)cc1
InChIKeyKBHWKXNXTURZCD-UHFFFAOYSA-N
PubChem CID7702
ChEMBLCHEMBL3185876
ChEBICHEBI:88473
EC No.203-203-4
DTXSIDDTXSID0042325
Lokaler Namep-Propylanisol

Chemische & physikalische Eigenschaften

XLogP3,5
Polarare Oberfläche (TPSA)9,2
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen3
Schwere Atome11
Formalladung0
Komplexität93
SpringerMaterials PropertiesOptical coefficient
DuftstoffeFragrance Ingredient (p-Propylanisole) -> IFRA transparency List
LebensmittelzusatzstoffeFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte0.940-0.9430.941 g/mL at 25 °C(lit.)
AromastoffeEU Flavoring substances
LöslichkeitSlightly soluble in water, Miscible in oilssoluble (in ethanol)Very slightly soluble in water, soluble in alcohol and oils
Siedepunkt212.00 to 213.00 °C. @ 760.00 mm Hg212-213 °C215 °C(lit.)
Brechungsindex1.503-1.506n20/D 1.504(lit.)
Physical Descriptioncolourless to pale yellow liquid, Sweet herbaceous quite powerful aroma
Schmelzpunkt45-46 °C
FEMA2930 | P-PROPYLANISOLE
Flammpunkt194 °F
LagerbedingungenSealed in dry,Room Temperature
FarbeColorless liquid
Geruchat 10.00 % in dipropylene glycol. sweet anise licorice sassafrass fennel
Geruchsartanisic
Biologische Quellesynthetic
JECFA Number1244
Hauptanwendungenflavors and fragrances
Kosmetik-Inhaltsstoffe FunktionenPERFUMING
InChI1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyKBHWKXNXTURZCD-UHFFFAOYSA-N
SMILESCCCc1ccc(OC)cc1
LogP (Verteilungskoeffizient)3.66
CAS Datenbank104-45-0(CAS DataBase Reference)
EPA chemische Informationenp-Propylanisole (104-45-0)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 100% (1538 of 1538) of all reports.Not ClassifiedAggregated GHS information provided per 1538 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatorische InformationenChemical: Benzene, 1-methoxy-4-propyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com.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/25412Benzene, 1-methoxy-4-propyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
RTECS-Nr.BZ9450000
R-Sätze (R)51/53
ToxizitätThe 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).
GefahrensymboleN
Sicherheitshinweise (S)61
Lagerklasse10 - Combustible liquids
GefahrenklasseAquatic Chronic 2

Anwendungen & Verwendung

Occurrence

Reported found in katsuobishi (dried bonito).

Verwenden

The 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.

Herstellung & Synthese

synthetische

By partial hydrogenation of anethole in the presence of nickel at 60 to 95°C under pressure or under atmospheric pressure.