p-Methylpropiophenone (HCID 21429)

名称と識別子

優先名称: p-Methylpropiophenone
IUPAC: 1-(4-methylphenyl)propan-1-one
現地名: 4'-メチルプロピオフェノン
英語名: 4'-Methylpropiophenone
分子式: C10H12O
分子量: 148.2

名称と別名

4'-Methylpropiophenone5337-93-91-(p-tolyl)propan-1-onep-Methylpropiophenone4-Methylpropiophenone1-(4-methylphenyl)propan-1-one1-Propanone, 1-(4-methylphenyl)-p-Tolyl ethyl ketoneNSC-8528490C17WABEINECS 226-267-5AI3-04217

名称をさらに表示

4'-メチルプロピオフェノンp-メチルプロピオフェノン1-(4-メチルフェニル)-1-プロパノン4’メチルプロピオフェノン4-メチルプロピオフェノン4'-メチルプロピオフェノン,4′-メチルプロピオフェノン4'-メチルプロピオフェノン, , 95%1-(p-トリル)プロパン-1-オン1-(4-メチルフェニル)プロパン-1-オンETHYL-P-TOLYLKETON4-MethylpropiophenonLABOTEST-BB LT000530504-Methyl PropiphenoneP-Methyl phenylethylketoneEthyl 4-methylphenyl ketone1-(4-methylphenyl)-propan-1-one

CHEBI:59335PATYHUUYADUHQS-UHFFFAOYSA-DTXSID00201535NSC 852RefChem:858134DTXCID30124026226-267-5InChI=1/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

データベース識別子

CAS: 5337-93-9
PubChem CID: 21429
DTXSID: DTXSID00201535
ChEBI: CHEBI:59335
UNII: 8490C17WAB
EC Number: 226-267-5
Nikkaji: J30.886B

物性

構造計算による物性

XLogP: 2.6
極性表面積: 17.1 Å²
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: 2
重原子数: 11
形式電荷: 0
複雑度: 132

物理化学的性質

融点: 7.2 °C · 7.2 °C
沸点: 238 · 238-239 °C(lit.)
比重(密度): 0.993 g/mL · 0.993 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.528(lit.)
闪点: 229 °F · 229 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム、ヘキサンに可溶。
外見: 油
色: 無色
比重: 0.99 · 0.99
BRN: 2042137 · 2042137
InChI: InChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey: PATYHUUYADUHQS-UHFFFAOYSA-N
SMILES: C(C1=CC=C(C)C=C1)(=O)CC
CAS データベース: 5337 · 5337-93-9(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4'-Methylpropiophenone(5337-93-9)

化学的性質

化学的特性clear light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H401 (66.7%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1-Propanone, 1-(4-methylphenyl)-

Status: Active Update: 20-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17404

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；Aquatic Acute 2 (66.7%)

法規制情報

Regulatory Information · 2 件

Chemical: 1-Propanone, 1-(4-methylphenyl)-

Status: Active Update: 20-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17404

安全データ

wgk: 3
hs_code: 29143990
化審法: (3)-3865
消防法: 危-4-3-III
safety_code: 24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

用途有機合成原料。

使用4′-Methylpropiophenone is a chemical reagent used in electrocarboxylation reactions.

上流・下流製品情報

下流製品

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

補足説明

定義ChEBI: 4-methylpropiophenone is an aromatic ketone that is propiophenone bearing a methyl group at C-4. It derives from a propiophenone.

4'-メチルプロピオフェノン

基本情報