p-Propylanisol

4-Propylanisole

HCID 7702CAS 104-45-0
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Grundinformationen

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

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 · 2 Einträge

Slightly soluble in water, Miscible in oils

soluble (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt
45 · 45-46 °C
Siedepunkt
215 °C · 215 °C(lit.)
Dichte
0.941 g/mL · 0.941 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.504(lit.)
FEMA
2930 · 2930 | P-PROPYLANISOLE
Flammpunkt
194 °F · 194 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

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 · 4 Einträge

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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).

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 · 6 Einträge

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 · 2 Einträge

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

Anbieter50 Anbieter

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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