기본 정보
- 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
Large Crystals; CBI; Dry Powder; Liquid; Dry Powder; Liquid
Solid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]
Solid
White shiny crystals, Intensely sweet, orange blossom Acacia-like aroma
물리화학적 성질
- 녹는점
- 70 · 70-73 °C (lit.)
- 끓는 점
- 274 °C · 274 °C (lit.)
- 밀도
- 1.064 g/mL · 1.064 g/mL at 25 °C (lit.)
- 증기압
- 1.097 Pa · 1.097Pa at 25℃
- 굴절률
- 1.544 · 1.5440 (estimate)
- FEMA
- 4704 · 4704 | BETA-NAPHTHYL METHYL ETHER
- 인화점
- 272 · 272-274°C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 2 O: · H2O: 용해성(완전히)
- 물리적 상태
- 결정질 고체
- 산도 계수 (pKa)
- 0 · 0[at 20 ℃]
- 색상
- 흰색에서 황갈색
- 냄새
- 1 % · 디프로필렌 글리콜 중 1.00%. 달콤한 나프틸 꽃무늬 오렌지 꽃 아카시아 네롤리
- 냄새 유형
- 나프틸
- 생물학적 소스
- synthetic
- 수용성
- 불용성
- Merck
- 14 · 14,5997
- JECFA Number
- 1257 · 1257
- BRN
- 1859408 · 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
- 3.318 at · 3.318 at 25℃
- NIST
- 2 · Naphthalene, 2-methoxy-(93-04-9)
- EPA
- 2 · Naphthalene, 2-methoxy- (93-04-9)
화학적 성질
white powder
안전 및 규제
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
- 위험 등급
- 9
- 기존화학 물질
- KE-23329
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
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).
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
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
聊城作之杭化工有限公司19163518031; 19163518031
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
吉良化学21-62165282 · [email protected]
上海尚饮思生化医药有限公司021-021-57872719 13761402923 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
潍坊市前进精细化工有限公司18753684562 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
관련 반응
366건
연결된 노트
불러오는 중…