2-メトキシナフタレン

2-Methoxynaphthalene

HCID 7119CAS 93-04-9
部分構造検索類似構造を探す

基本情報

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

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 · 2 件

3.47

3.47

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

物理化学的性質

融点
70 · 70-73 °C (lit.)
沸点
274 °C · 274 °C (lit.)
比重(密度)
1.064 g/mL · 1.064 g/mL at 25 °C (lit.)
蒸気圧
1.097 Pa · 1.097Pa at 25℃
屈折率
1.544 · 1.5440 (estimate)
FEMA
4704 · 4704 | BETA-NAPHTHYL METHYL ETHER

化学的性質

化学的特性white powder

安全と法規制

GHS分類

GHS Classification · 4 件

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 · 5 件

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 · 5 件

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

応用分野 · 4 件

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.

使用2-Methoxynaphthalene is an Impurity of the non-steroidal anti-inflammatory Naproxen (N377525).

調製方法 · 2 件

製造方法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

純化方法Fractionally distil the ether under vacuum. Crystallise it from absolute EtOH, aqueous EtOH, *C6H6, pet ether or n-heptane, and dry it under vacuum in an Abderhalden pistol or distil it in vacuo. The picrate has m 118o (from EtOH or CHCl3). [Kikuchi et al. J Phys Chem 91 574 1987, Beilstein 6 III 2969, 6 IV 4257.]

上流・下流製品情報

サプライヤー50 社

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

関連反応

366 件
反応記録を作成

関連ノート

読み込み中…