2-メトキシナフタレン
2-Methoxynaphthalene
基本情報
- CAS
93-04-9- 標準SMILES
COc1ccc2ccccc2c1- InChIKey
LUZDYPLAQQGJEA-UHFFFAOYSA-N- 分子式
- C11H10O
- 平均分子量
- 158.2 g/mol
- 単同位体質量
- 158.07316494
概要
2-Methoxynaphthalene is a member of naphthalenes.
名称と識別子
- 優先名称
- 2-Methoxynaphthalene
- IUPAC
- 2-methoxynaphthalene
- 現地名
- 2-メトキシナフタレン
- 英語名
- 2-Methoxynaphthalene
- 分子式
- C11H10O
- 分子量
- 158.2
名称と別名
2-METHOXYNAPHTHALENE93-04-9Naphthalene, 2-methoxy-NerolinMethyl 2-naphthyl ether2-Naphthol methyl etherbeta-Naphthyl methyl etherbeta-MethoxynaphthaleneNerolin (old)beta-Naphthol methyl etherDTXSID7044392VX2T1Z50C4
名称をさらに表示
2-メトキシナフタレンネロリン(old)β-ナフチルメチルエーテルメチル2-ナフチルエーテルヤラヤラメチル(2-ナフチル)エーテルネロリン2メトキシナフタレン2‐メトキシナフタレンメチル-2-ナフチルエーテル2-ナフチルメチルエーテル(ナフタレン-2-イル)メタノラートNEROLIN YARA YARANEROLINE YARA YARANaproxen Impurity MYARAJara jara2-MethoxynaphthaLB-NAPHTHOL METHYL ETHERB-NAPHTHYL METHYL ETHER
NSC-4171DTXCID5024392FEMA NO. 4704RefChem:87936202-213-6Yara yaraYara-YaraYura yara
データベース識別子
- CAS
93-04-9- PubChem CID
- 7119
- DTXSID
DTXSID7044392- ChEMBL
CHEMBL195857- ChEBI
CHEBI:177835- UNII
- VX2T1Z50C4
- EC Number
- 202-213-6
- Nikkaji
- J4.667A
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 9.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 144
実験および物理化学的性質
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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ9468750
- ridadr
- UN 3077 9 / PGIII
- 毒性
- LD50 oral in rat: > 5gm/kg
- hs_code
- 29093090
- 化審法
- (4)-362
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
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
応用分野
解説白色の板状晶．融点73～74 ℃，沸点274 ℃，138 ℃(1.3 kPa)．メトキシナフタレンは，水に不溶，メタノール，エタノールに微溶，ほかの有機溶媒に易溶．アカシア，オレンジ花に似た甘い香気をもつ合成香料．λmax 227，261，271，281，313，328 nm(log ε 4.85，3.60，3.65，3.48，3.18，3.30)．香料(ネロリン，ヤラヤラ)として，せっけん，洗剤，化粧品などに広く用いられている．LD50 ＞ 5000 mg/kg(ラット，経口)．森北出版「化学辞典（第2版）
用途有機合成原料。
説明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.
関連反応
366 件
化合物ノート
読み込み中…