1-プロピル-4-メトキシベンゼン
4-Propylanisole
基本情報
- CAS
104-45-0- 標準SMILES
CCCc1ccc(OC)cc1- InChIKey
KBHWKXNXTURZCD-UHFFFAOYSA-N- 分子式
- C10H14O
- 平均分子量
- 150.22 g/mol
- 単同位体質量
- 150.10446507
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 Ų
- 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
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
物理化学的性質
- 融点
- 45 · 45-46 °C
- 沸点
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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
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
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
応用分野
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
関連反応
4 件
化合物ノート
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