Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-N-프로필라니솔
4-N-프로필라니솔 · FEMA 2930 · DIHYDROANETHOL · p-propyl-anisol · 4-PROPYLANISOLE · DIHYDROANETHOLE · P-PROPYL ANISOLE · p-n-Propylanisole
식별자 및 물리적 특성
| CAS No. | 104-45-0 |
|---|---|
| 분자식 | C10H14O |
| 평균 분자량 | 150.22 g/mol |
| 단동위원소 질량 | 150.10446507 g/mol |
| SMILES | CCCc1ccc(OC)cc1 |
| InChIKey | KBHWKXNXTURZCD-UHFFFAOYSA-N |
| PubChem CID | 7702 |
| ChEMBL | CHEMBL3185876 |
| ChEBI | CHEBI:88473 |
| EC No. | 203-203-4 |
| DTXSID | DTXSID0042325 |
| 현지명 | 4-N-프로필라니솔 |
화학 및 물리적 성질
| XLogP | 3.5 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 93 |
| SpringerMaterials Properties | Optical coefficient |
| 향료 | Fragrance Ingredient (p-Propylanisole) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.940-0.9430.941 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | Slightly soluble in water, Miscible in oilssoluble (in ethanol)Very slightly soluble in water, soluble in alcohol and oils |
| 끓는 점 | 212.00 to 213.00 °C. @ 760.00 mm Hg212-213 °C215 °C(lit.) |
| 굴절률 | 1.503-1.506n20/D 1.504(lit.) |
| Physical Description | colourless to pale yellow liquid, Sweet herbaceous quite powerful aroma |
| 녹는점 | 45-46 °C |
| FEMA | 2930 | P-PROPYLANISOLE |
| 인화점 | 194 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 색상 | Colorless liquid |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 달콤한 아니스 감초 사사프라스 회향 |
| 향취 유형 | 회향풀 |
| 생물학적 소스 | synthetic |
| JECFA Number | 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(분배 계수) | 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 | This chemical does not meet GHS hazard criteria for 100% (1538 of 1538) of all reports.Not ClassifiedAggregated GHS information provided per 1538 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Benzene, 1-methoxy-4-propyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com.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/25412Benzene, 1-methoxy-4-propyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BZ9450000 |
| 운송 번호(UN) | 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). |
| 위험 문구(R) | 51/53 |
| 위험 표시 | N |
| 안전 문구(S) | 61 |
| 위험 등급 | Aquatic Chronic 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
출처
Reported found in katsuobishi (dried bonito).
용도
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.
제조 및 합성 방법
제조 방법
By partial hydrogenation of anethole in the presence of nickel at 60 to 95°C under pressure or under atmospheric pressure.