Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
베타-나프틸메틸에테르
2-메톡시나프탈렌 · 네롤린야라야라 · 베타-나프틸메틸에테르 · 메틸베타-나프틸에터 · NEROLIN YARA YARA · YARA YARA · NEROLINE YARA YARA · Naproxen Impurity M
식별자 및 물리적 특성
| CAS No. | 93-04-9 |
|---|---|
| 분자식 | C11H10O |
| 평균 분자량 | 158.2 g/mol |
| 단동위원소 질량 | 158.07316494 g/mol |
| SMILES | COc1ccc2ccccc2c1 |
| InChIKey | LUZDYPLAQQGJEA-UHFFFAOYSA-N |
| PubChem CID | 7119 |
| ChEMBL | CHEMBL195857 |
| ChEBI | CHEBI:177835 |
| EC No. | 202-213-6 |
| DTXSID | DTXSID7044392 |
| 현지명 | 베타-나프틸메틸에테르 |
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 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 144 |
| 물질 분류 | Other Classes -> Naphthalenes |
| Polymers | Polycyclic aromatic compound |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 향료 | Fragrance Ingredient (beta-Naphthyl methyl ether) -> IFRA transparency List |
| LogP(분배 계수) | 3.47 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | Insoluble in water, miscible in oilssoluble (in ethanol)H2O: 용해성(완전히) |
| 끓는 점 | 274.00 °C. @ 760.00 mm Hg274 °C (lit.) |
| 녹는점 | 72 °C70-73 °C (lit.) |
| 증기압 | 0.00823 [mmHg]1.097Pa at 25℃ |
| Physical Description | Large CrystalsCBIDry PowderLiquidSolid[Merck Index] White crystalline powder[Alfa Aesar MSDS]White shiny crystals, Intensely sweet, orange blossom Acacia-like aroma |
| 밀도 | 1.064 g/mL at 25 °C (lit.) |
| 굴절률 | 1.5440 (estimate) |
| FEMA | 4704 | BETA-NAPHTHYL METHYL ETHER |
| 인화점 | 272-274°C |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 결정질 고체 |
| pKa(산도 계수) | 0[at 20 ℃] |
| 색상 | 흰색에서 황갈색 |
| 냄새 | 디프로필렌 글리콜 중 1.00%. 달콤한 나프틸 꽃무늬 오렌지 꽃 아카시아 네롤리 |
| 향취 유형 | 나프틸 |
| 생물학적 소스 | synthetic |
| 용해도 | 불용성 |
| Merck | 14,5997 |
| JECFA Number | 1257 |
| BRN | 1859408 |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3 |
| InChIKey | LUZDYPLAQQGJEA-UHFFFAOYSA-N |
| SMILES | COc1ccc2ccccc2c1 |
| LogP(분배 계수) | 3.318 at 25℃ |
| NIST | Naphthalene, 2-methoxy-(93-04-9) |
| EPA | Naphthalene, 2-methoxy- (93-04-9) |
화학적 성질
white powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 78.2% (1504 of 1923) of all reports.H411 (18.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1923 reports by companies from 15 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Naphthalene, 2-methoxy-Regulation (EC) No 1831/2003 (amended)Naphthalene, 2-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 2-methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/56942-Methoxynaphthalene: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Safe when used as a flavoring agent in food[JECFA] May cause irritation[Alfa Aesar MSDS] See Naphthalene. |
| Hazard Classes and Categories | Aquatic Chronic 2 (18.5%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QJ9468750 |
| 운송 번호(UN) | UN 3077 9 / PGIII |
| 독성 | LD50 oral in rat: > 5gm/kg |
| 관세 코드 | 29093090 |
| 안전 문구(S) | 22-24/25 |
| 위험 등급 | 9Aquatic Chronic 2Eye Irrit. 2 |
| 기존화학 물질 | KE-23329 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
β-Naphthyl methyl ether has an intensely sweet, floral odor suggestive of orange blossoms. It is free from naphthol by-odor. It has a sweet, strawberry taste. This may be prepared from potassium β-naphthol and methyl chloride at 300°C; by methylation of β-naphthol with dimethyl sulfate or by direct esterification with methyl alcohol.
용도
2-Methoxynaphthalene is an Impurity of the non-steroidal anti-inflammatory Naproxen (N377525).
제조 및 합성 방법
제조 방법
From postassium β-naphthol and methyl chloride at 300°C; by methylation of β-naphthlol with dimethyl sulfate or by direct esterification with methyl alcohol