4-Propylanisole (HCID 7702)

概要

1-Methoxy-4-propylbenzene is a member of methoxybenzenes.

名称と識別子

優先名称: 4-Propylanisole
IUPAC: 1-methoxy-4-propylbenzene
現地名: 1-プロピル-4-メトキシベンゼン
英語名: 4-n-Propylanisole
分子式: C10H14O
分子量: 150.22

名称と別名

4-Propylanisole1-Methoxy-4-propylbenzene104-45-0Dihydroanetholep-Propylanisolep-Propyl anisoleAnisole, p-propyl-Benzene, 1-methoxy-4-propyl-FEMA No. 2930DTXSID0042325932XJ1O77XNSC-37996

名称をさらに表示

p-プロピルアニソール1-プロピル-4-メトキシベンゼンジヒドロアネトール4-プロピルフェニル(メチル)エーテル1-メトキシ-4-プロピルベンゼン4-プロピルアニソール4-メトキシ-1-プロピルベンゼンFEMA 2930DIHYDROANETHOLp-propyl-anisolPropylanisol para

DTXCID8022325PARA-PROPYLANISOLERefChem:526579203-203-44-n-Propylanisolep-n-Propylanisolep-Propylmethoxybenzenep-n-Propyl anisole

データベース識別子

CAS: 104-45-0
PubChem CID: 7702
DTXSID: DTXSID0042325
ChEMBL: CHEMBL3185876
ChEBI: CHEBI:88473
UNII: 932XJ1O77X
EC Number: 203-203-4
Nikkaji: J22.133C

物性

構造計算による物性

XLogP: 3.5
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 93

実験および物理化学的性質

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 件

Slightly soluble in water, Miscible in oils

soluble (in ethanol)

物理化学的性質

融点: 45 · 45-46 °C
沸点: 215 °C · 215 °C(lit.)
比重(密度): 0.941 g/mL · 0.941 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.504(lit.)
FEMA: 2930 · 2930 | P-PROPYLANISOLE
闪点: 194 °F · 194 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Very slightly soluble in water, soluble in alcohol and oils
色: Colorless liquid
臭い (Odor): 10 %。スイートアニス · ジプロピレングリコール中10.00%。スイートアニス甘草サッサフラスフェンネル
においのタイプ: アニス系
由来生物: synthetic
JECFA Number: 1244 · 1244
主な用途: フレーバーそして香料
化粧品成分の機能: 香料
InChI: 1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3
InChIKey: KBHWKXNXTURZCD-UHFFFAOYSA-N
SMILES: CCCc1ccc(OC)cc1
LogP: 3.66 · 3.66
CAS データベース: 104 · 104-45-0(CAS DataBase Reference)
EPAの化学物質情報: p-Propylanisole (104-45-0)

化学的性質

化学的特性p-Propyl anisole has a characteristic anise-type odor with a sassafras undertone.

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 4 件

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

安全データ

wgk: 2
tsca: TSCA listed
rtecs: BZ9450000
ridadr: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
毒性: 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).
risk_code: 51/53
hazard_code: N
safety_code: 61
Hazard Classifications: Aquatic Chronic 2
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Household ProductsInformation on 1 consumer products that contain Dihydroanethole in the following categories is provided:

Use Classification · 6 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzene, 1-methoxy-4-propyl-: ACTIVE

応用分野 · 3 件

用途香料・香辛料

天然物の起源Reported found in katsuobishi (dried bonito).

使用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.

調製方法

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

上流・下流製品情報

上流原料

アネトール

サプライヤー50 社

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]

1-プロピル-4-メトキシベンゼン

基本情報

概要