CAS 2445-83-2 7-Methylcoumarin (HCID 17131)

概要

7-Methylcoumarin is a member of coumarins.

名称と識別子

優先名称: 7-Methylcoumarin
IUPAC: 7-methylchromen-2-one
現地名: 7-メチルクマリン
英語名: 7-METHYLCOUMARIN
分子式: C10H8O2
分子量: 160.17

名称と別名

7-Methylcoumarin2445-83-27-methylchromen-2-one2H-1-Benzopyran-2-one, 7-methyl-COUMARIN, 7-METHYL-7-Methyl-2H-1-benzopyran-2-oneYCN83T03QUNSC-19511DTXSID0062424RefChem:106374DTXCID4037083219-499-3

名称をさらに表示

7-メチルクマリン7-メチル-2H-1-ベンゾピラン-2-オン7-メチル-2H-クロメン-2-オン7-メチルクマリン IN ACETONITRILE7-メチルクマリン in Acetonitrile, 1000 µg/mL in AcCN7-methyl-coumariMETHYLCOUMARIN,7-7-Methylcoumarin>7-METHYLCOUMARIN, 98+%METHYLCOUMARIN, 7-(RG)

7-Methyl-2H-chromen-2-one7-Methylcumarin7-Methyl coumarinMFCD000068807-Methyl-chromen-2-oneNSC195117-Methyl-CoumarinEINECS 219-499-3

データベース識別子

CAS: 2445-83-2
PubChem CID: 17131
DTXSID: DTXSID0062424
ChEMBL: CHEMBL346541
ChEBI: CHEBI:166605
UNII: YCN83T03QU
EC Number: 219-499-3
Nikkaji: J118.426A

物性

構造計算による物性

XLogP: 1.8
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 220

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

FragrancesFragrance substance (7-Methylcoumarin) -> IFRA amendment 40

物理化学的性質

融点: 128 · 128-130 °C (lit.)
沸点: 171 · 171-172 °C/11 mmHg (lit.)
比重(密度): 1.0924 · 1.0924 (rough estimate)
屈折率: 1.53 · 1.5300 (estimate)
貯蔵温度: -20 °C · Store at -20°C
外見: Solid
色: White to off-white
臭い (Odor): 100 %で。スイートクマリン · 100.00%で。スイートクマリン
においのタイプ: トンカ
InChI: 1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3
InChIKey: DLHXRDUXNVEIEY-UHFFFAOYSA-N
SMILES: Cc1ccc2C=CC(=O)Oc2c1
LogP: 2.274 · 2.274 (est)
CAS データベース: 2445 · 2445-83-2(CAS DataBase Reference)
EPAの化学物質情報: 2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 7-methyl- (2445-83-2)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2H-1-Benzopyran-2-one, 7-methyl-

2H-1-Benzopyran-2-one, 7-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Coumarins: Human health tier II assessment

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: GN7792100
毒性: mouse,LD50,subcutaneous,258mg/kg (258mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 186, 1956.
hs_code: 2932209088
risk_code: 23/24/25
化審法: (5)-687
safety_code: 1-13-45
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

IFRA Fragrance Standards · 6 件

7-Methylcoumarin

2H-1-Benzopyran-2-one, 7-methyl-; 7-Methyl-2-H-1-benzopyran-2-one

IFRA_STD_161.pdf

40

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Prohibition: This material should not be used as a fragrance ingredient

General Manufacturing Information2H-1-Benzopyran-2-one, 7-methyl-: INACTIVE

応用分野

使用7-Methylcoumarin (cas# 2445-83-2) is a compound useful in organic synthesis.

一般的な説明Antimitotic potential of 7-methylcoumarin has been investigated in Allium sativum promeristem1.

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化合物ノート

読み込み中…

7-メチルクマリン

基本情報

概要