4-N-프로필라니솔
4-Propylanisole
기본 정보
- CAS
104-45-0- 표준 SMILES
CCCc1ccc(OC)cc1- InChIKey
KBHWKXNXTURZCD-UHFFFAOYSA-N- 분자식
- C10H14O
- 평균 분자량
- 150.22 g/mol
- 단동위원소 질량
- 150.10446507
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 Ų
- 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
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
물리화학적 성질
- 녹는점
- 45 · 45-46 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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
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
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
응용 분야
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
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