CAS 7473-98-5 2-Hydroxy-2-methyl-1-phenylpropan-1-one (HCID 81984)

名称と識別子

優先名称: 2-Hydroxy-2-methyl-1-phenylpropan-1-one
IUPAC: 2-hydroxy-2-methyl-1-phenylpropan-1-one
現地名: 2-ヒドロキシ-2-メチルプロピオフェノン
英語名: 2-Hydroxy-2-methylpropiophenone
分子式: C10H12O2
分子量: 164.2

名称と別名

2-Hydroxy-2-methylpropiophenone7473-98-52-hydroxy-2-methyl-1-phenylpropan-1-onebenzoyl isopropanol1-Propanone, 2-hydroxy-2-methyl-1-phenyl-DTXSID8044830Z0LRG273ADNSC-401744DTXCID6024830RefChem:87361231-272-02-Hydroxy-2-methyl propiophenone

名称をさらに表示

2-ヒドロキシ-2-メチルプロピオフェノン1-メチル-1-ベンゾイルエタノール(1-オキソ-2-ヒドロキシ-2-メチルプロピル)ベンゼンダロキュア11731-フェニル-2-ヒドロキシ-2-メチルプロパン-1-オンα-メチル-α-ヒドロキシプロピオフェノンフェニル(1-メチル-1-ヒドロキシエチル)ケトン1-フェニル-2-メチル-2-ヒドロキシ-1-プロパノンフェニル(1-ヒドロキシ-1-メチルエチル)ケトン2-ヒドロキシ-2-メチル-1-フェニルプロパン-1-オンダロクレ11732-ヒドロキシ-1-フェニル-2-メチルプロパン-1-オン1-フェニル-2-ヒドロキシ-2-メチル-1-プロパノンβ-ヒドロキシ-α-メチルプロピオフェノン1-フェニル-2-(ヒドロキシメチル)-1-プロパノン2-ベンゾイル-2-プロパノールα-ヒドロキシメチルプロピオフェノンダロクール11732-ベンゾイルプロパン-2-オールα-メチル-β-ヒドロキシプロピオフェノン1173Irgacure 1173Omnirad 1173PI-1173IHT-PI 1173Photocure-11732-Hydroxy-2-methylpr

1-Phenyl-2-hydroxy-2-methylpropan-1-one2-Hydroxy-2-methyl-1-phenyl-1-propanoneMFCD000407102-hydroxy-2-benzoylpropane2-hydroxy-2-methyl-1-phenyl-propan-1-one2-Benzoyl-2-propanolEINECS 231-272-0UNII-Z0LRG273AD

データベース識別子

CAS: 7473-98-5
PubChem CID: 81984
DTXSID: DTXSID8044830
ChEMBL: CHEMBL3187850
UNII: Z0LRG273AD
EC Number: 231-272-0
Nikkaji: J30.899D

物性

構造計算による物性

XLogP: 1.5
極性表面積: 37.3 Å²
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: 12
形式電荷: 0
複雑度: 167

実験および物理化学的性質

Physical DescriptionLiquid

Kovats Retention Index1278

物理化学的性質

融点: 4 °C · 4°C
沸点: 102 · 102-103 °C4 mm Hg(lit.)
比重(密度): 1.077 g/mL · 1.077 g/mL at 25 °C(lit.)
蒸気圧: 0.57 Pa · 0.57Pa at 20℃
屈折率: 20 · n20/D 1.533(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: Practically insoluble in water
外見: clear liquid
酸解離定数(Pka): 13.23 · 13.23±0.29(Predicted)
色: Colorless to Light orange to Yellow
比重: 1.077 · 1.077
臭い (Odor): Slight odor
水溶解度: 13.3 g/L · 13.3g/L at 20℃
化粧品成分の機能: フィルム形成
InChI: 1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3
InChIKey: XMLYCEVDHLAQEL-UHFFFAOYSA-N
SMILES: CC(C)(O)C(=O)c1ccccc1
LogP: 1.62 at · 1.62 at 25℃
CAS データベース: 7473 · 7473-98-5(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Propanone, 2-hydroxy-2-methyl-1-phenyl- (7473-98-5)

化学的性質

化学的特性Yellowish clear liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.8% (8 of 1046) of reports.

Warning

H302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H400 (27.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (21.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H412 (30.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1046 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 8 of 1046 reports by companies.；There are 21 notifications provided by 1038 of 1046 reports by companies with hazard statement code(s).；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 · 4 件

Chemical: 1-Propanone, 2-hydroxy-2-methyl-1-phenyl-

1-Propanone, 2-hydroxy-2-methyl-1-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanone, 2-hydroxy-2-methyl-1-phenyl- 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: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11211

1-Propanone, 2-hydroxy-2-methyl-1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (98.9%)；Aquatic Acute 1 (27.7%)；Aquatic Chronic 1 (21.4%)；Aquatic Chronic 3 (30.1%)

法規制情報

Regulatory Information · 4 件

Chemical: 1-Propanone, 2-hydroxy-2-methyl-1-phenyl-

1-Propanone, 2-hydroxy-2-methyl-1-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanone, 2-hydroxy-2-methyl-1-phenyl- 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: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11211

1-Propanone, 2-hydroxy-2-methyl-1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UC2977245
ridadr: 3082
hs_code: 29144000
risk_code: 22
化審法: (3)-3581
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 23-36/37/39
hazard_class: 9
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 1,000,000 - <2,500,000 lb；2021: 1,000,000 - <2,500,000 lb；2020: 1,000,000 - <2,500,000 lb

Consumer UsesPhotosensitive agent；Hardener；Not Known or Reasonably Ascertainable

Industry UsesNot Known or Reasonably Ascertainable；Photosensitive agent；Tanning agents not otherwise specified

General Manufacturing Information · 2 件

Printing Ink Manufacturing；Paint and Coating Manufacturing；Plastics Material and Resin Manufacturing；Not Known or Reasonably Ascertainable；Adhesive Manufacturing

1-Propanone, 2-hydroxy-2-methyl-1-phenyl-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用2-Hydroxy-2-benzoylpropane was used as a catalyst in real-time kinetic study of laser-induced polymerization. It is also a photoinitiator.

一般的な説明2-Hydroxy-2-methylpropiophenone is a radical photoinitiator (PI) molecule that can be used in the crosslinking of polymers by the exposure of UV radiation. It can be used in the development of UV curable resins for exterior coating applications.