4-Propylanisole (HCID 7702)

개요

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

이름 및 식별자

우선 이름: 4-Propylanisole
IUPAC: 1-methoxy-4-propylbenzene
현지명: 4-N-프로필라니솔
영어명: 4-n-Propylanisole
분자식: C10H14O
분자량: 150.22

이름 및 동의어

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

이름 더 보기

4-N-프로필라니솔FEMA 2930DIHYDROANETHOLp-propyl-anisolPropylanisol para

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 93

실험 및 물리화학적 성질

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 · 2건

Slightly soluble in water, Miscible in oils

soluble (in ethanol)

물리화학적 성질

녹는점: 45 · 45-46 °C
끓는 점: 215 °C · 215 °C(lit.)
밀도: 0.941 g/mL · 0.941 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.504(lit.)
FEMA: 2930 · 2930 | P-PROPYLANISOLE
인화점: 194 °F · 194 °F
저장 조건: Sealed in dry,Room Temperature
용해도: Very slightly soluble in water, soluble in alcohol and oils
색상: Colorless liquid
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 달콤한 아니스 감초 사사프라스 회향
냄새 유형: 회향풀
생물학적 소스: synthetic
JECFA Number: 1244 · 1244
주요 응용: 향료 및 향
화장품 원료 기능: 향수
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
EPA: p-Propylanisole (104-45-0)

화학적 성질

p-Propyl anisole has a characteristic anise-type odor with a sassafras undertone.

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 4건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

안전 데이터

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)
독성: 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
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

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

Use Classification · 6건

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

응용 분야 · 2건

출처Reported found in katsuobishi (dried bonito).

용도The 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.

제조 방법

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

상·하류 제품 정보

상류 원료

아네톨

공급사50 곳

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]

연결된 노트

불러오는 중…

4-N-프로필라니솔

기본 정보

개요