베타-나프틸메틸에테르
2-Methoxynaphthalene
기본 정보
- CAS
93-04-9- 표준 SMILES
COc1ccc2ccccc2c1- InChIKey
LUZDYPLAQQGJEA-UHFFFAOYSA-N- 분자식
- C11H10O
- 평균 분자량
- 158.2 g/mol
- 단동위원소 질량
- 158.07316494
개요
2-Methoxynaphthalene is a member of naphthalenes.
이름 및 식별자
- 우선 이름
- 2-Methoxynaphthalene
- IUPAC
- 2-methoxynaphthalene
- 현지명
- 베타-나프틸메틸에테르
- 영어명
- 2-Methoxynaphthalene
- 분자식
- C11H10O
- 분자량
- 158.2
이름 및 동의어
2-METHOXYNAPHTHALENE93-04-9Naphthalene, 2-methoxy-NerolinMethyl 2-naphthyl ether2-Naphthol methyl etherbeta-Naphthyl methyl etherbeta-MethoxynaphthaleneNerolin (old)beta-Naphthol methyl etherDTXSID7044392VX2T1Z50C4
이름 더 보기
2-메톡시나프탈렌네롤린야라야라베타-나프틸메틸에테르메틸베타-나프틸에터NEROLIN YARA YARANEROLINE YARA YARANaproxen Impurity MYARAJara jara2-MethoxynaphthaLB-NAPHTHOL METHYL ETHERB-NAPHTHYL METHYL ETHER
NSC-4171DTXCID5024392FEMA NO. 4704RefChem:87936202-213-6Yara yaraYara-YaraYura yara
데이터베이스 식별자
- CAS
93-04-9- PubChem CID
- 7119
- DTXSID
DTXSID7044392- ChEMBL
CHEMBL195857- ChEBI
CHEBI:177835- UNII
- VX2T1Z50C4
- EC Number
- 202-213-6
- Nikkaji
- J4.667A
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
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 144
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Naphthalenes
PolymersPolycyclic aromatic compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (beta-Naphthyl methyl ether) -> IFRA transparency List
LogP
3.47
3.47
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water, miscible in oils
soluble (in ethanol)
Boiling Point274.00 °C. @ 760.00 mm Hg
Melting Point72 °C
Vapor Pressure0.00823 [mmHg]
Physical Description
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 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.
유해성 정보
Regulatory Information
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/5694
2-Methoxynaphthalene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS] See Naphthalene.
Hazard Classes and CategoriesAquatic Chronic 2 (18.5%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ9468750
- ridadr
- UN 3077 9 / PGIII
- 독성
- LD50 oral in rat: > 5gm/kg
- HS 번호
- 29093090
- safety_code
- 22-24/25
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesUsed as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesOther
Industry UsesFragrance
Household ProductsInformation on 122 consumer products that contain Methyl 2-naphthyl ether 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
General Manufacturing Information
Plastics Material and Resin Manufacturing
Naphthalene, 2-methoxy-: ACTIVE
응용 분야
개요β-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.
용도2-Methoxynaphthalene is an Impurity of the non-steroidal anti-inflammatory Naproxen (N377525).
관련 반응
366건
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