2-メトキシベンジルアルコール

2-Methoxybenzyl alcohol

HCID 69154CAS 1331-81-3
部分構造検索類似構造を探す

基本情報

標準SMILES
COc1ccccc1CO
InChIKey
WYLYBQSHRJMURN-UHFFFAOYSA-N
分子式
C8H10O2
平均分子量
138.16 g/mol
単同位体質量
138.06807956

名称と識別子

優先名称
2-Methoxybenzyl alcohol
IUPAC
(2-methoxyphenyl)methanol
現地名
2-メトキシベンジルアルコール
英語名
2-Methoxybenzyl alcohol
分子式
C8H10O2
分子量
138.16

名称と別名

2-Methoxybenzyl alcohol(2-Methoxyphenyl)methanol612-16-8o-Anisyl alcoholBenzenemethanol, 2-methoxy-o-Methoxybenzyl alcohol2-MethoxybenzenemethanolMFCD000046112-methoxy-benzylalcohol2-Methoxy benzyl alcoholEINECS 215-561-9NSC-66558
名称をさらに表示
2-メトキシベンジルアルコールo-アニシルアルコール2-メトキシベンゼンメタノールo-メトキシベンジルアルコール(2-メトキシフェニル)メタノールサリゲニン2-メチルエーテル2‐メトキシベンジルアルコールo-Anisalcohol2-ANISE ALCOHOLO-ANISE ALCOHOL2-ANISIC ALCOHOL2-ANISYL ALCOHOLAKOS BBS-00004611RARECHEM AL BD 0022
UNII-NT090XT6TE(2-methoxyphenyl)-methanol457NQ8NGCG(2-Methoxy-phenyl)-methanolAI3-05521BENZYL ALCOHOL, O-METHOXY-NSC66558AKOS000120315

データベース識別子

CAS
1331-81-3、612-16-8
PubChem CID
69154
DTXSID
DTXSID4060606
UNII
457NQ8NGCG
EC Number
210-296-5、215-561-9
Nikkaji
J11.545B

物性

構造計算による物性

XLogP
1.1
極性表面積
29.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
2
重原子数
10

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials PropertiesDiamagnetic susceptibility
FragrancesFragrance Ingredient (Anisyl alcohol (o-,m-,p-)) -> IFRA transparency List
LogP1.13
Vapor Pressure0.00429 [mmHg]
Physical DescriptionClear orange to light orange-brown liquid; [Acros Organics MSDS]

物理化学的性質

融点
85 · 85-86 °C
沸点
248 · 248-250 °C(lit.)
比重(密度)
1.039 g/mL · 1.039 g/mL at 25 °C(lit.)
蒸気圧
0.572 Pa · 0.572Pa at 25℃
屈折率
20 · n20/D 1.547(lit.)
闪点
230 °F · >230 °F

化学的性質

化学的特性Colorless to light yellow liquid.

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 127 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenemethanol, 2-methoxy-

Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21644

Benzenemethanol, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Harmful by ingestion; [Acros Organics MSDS] See 2,5-Dimethoxybenzyl alcohol. See Benzyl alcohol. See 1,3-Dimethoxybenzene and Anisole.
Hazard Classes and Categories · 2 件

Acute Tox. 4 (98.3%)

Acute Tox. 4 (100%)

安全データ

F
9-23
wgk
3
tsca
TSCA listed
hs_code
29094990
risk_code
36/37/38-22
消防法
危-4-3-III

化学と産業

用途と製造

Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzenemethanol, 2-methoxy-: ACTIVE

応用分野

用途有機合成原料。

使用It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.

調製方法 · 1 件

製造方法Synthesis of 2-Methoxybenzyl Alcohol: Under an inert nitrogen (N₂) atmosphere, after dehydration and deoxygenation, 2-methoxybenzoic acid (76.2 mg, 0.5 mmol) was added to the reaction flask, followed by the addition of liquid borane (290 μL, 2 mmol). The reaction was carried out at room temperature for 12 hours. After completion, the mixture was removed from the glovebox, and trimethoxybenzene (84.23 mg, 0.5 mmol) was added as an internal standard. The mixture was dissolved in CDCl₃, stirred for 10 minutes, and then sampled for nuclear magnetic resonance (NMR) analysis. The yield was calculated to be 99%.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

関連反応

48 件
反応記録を作成

関連ノート

読み込み中…