4-メチルベンゾフェノン

4-Methylbenzophenone

HCID 8652CAS 134-84-9
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1ccc(C(=O)c2ccccc2)cc1
InChIKey
WXPWZZHELZEVPO-UHFFFAOYSA-N
分子式
C14H12O
平均分子量
196.24 g/mol
単同位体質量
196.088815

概要

structure in first source

名称と識別子

優先名称
4-Methylbenzophenone
IUPAC
(4-methylphenyl)-phenylmethanone
現地名
4-メチルベンゾフェノン
英語名
4-Methylbenzophenone
分子式
C14H12O
分子量
196.24

名称と別名

4-Methylbenzophenone134-84-9Methanone, (4-methylphenyl)phenyl-DTXSID9037741B2F68X17BMDTXCID7017741NSC-4898RefChem:99849205-159-1phenyl(p-tolyl)methanonep-Methylbenzophenone(4-Methylphenyl)(phenyl)methanone
名称をさらに表示
4-メチルベンゾフェノンフェニルp-トリルケトンp-フェニルトリルケトン(4-メチルフェニル)フェニルメタノン(p-トリル)フェニルケトン4-メチルフェニル(フェニル)ケトンフェニル(4-メチルフェニル)ケトン4'-メチルベンゾフェノン(4-メチルフェニル)フェニルケトンフェニル(p-トリル)ケトンフェニル(p-メチルフェニル)ケトン4メチルベンゾフェノンP-メチルベンゾフェノン4‐メチルベンゾフェノンフェニル(P-トリル)メタノン4-メチルベンゾフェノン, 98%4-methybenzophenoneAPi-MBPNSC 4898YF-PI MBPusafdo-54USAF DO-54IHT-PI MBP
Phenyl p-tolyl ketonep-Benzoyltoluene4-Methyl benzophenone(4-methylphenyl)-phenylmethanone4-benzoyltoluenep-Benzophenone, methyl-MFCD00008553BENZOPHENONE, 4-METHYL-

データベース識別子

CAS
134-84-9
PubChem CID
8652
DTXSID
DTXSID9037741
ChEMBL
CHEMBL371531
UNII
B2F68X17BM
EC Number
205-159-1
Nikkaji
J5.600F

物性

構造計算による物性

XLogP
3.8
極性表面積
17.1 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
2
重原子数
15

実験および物理化学的性質

Chemical ClassesOther Classes -> Benzophenones
SpringerMaterials PropertiesBoiling point
Physical Description · 2 件

Liquid; Large Crystals

Off-white crystalline powder; [Alfa Aesar MSDS]

物理化学的性質

融点
56.5 · 56.5-57 °C (lit.)
沸点
326 °C · 326 °C (lit.)
比重(密度)
0.9926 · 0.9926
蒸気圧
0.059 Pa · 0.059Pa at 25℃
屈折率
1.592 · 1.5920 (estimate)
闪点
143 °C · 143 °C

化学的性質

化学的特性white to beige crystalline powder or crystals

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 76.4% (2135 of 2794) of all reports.

Warning

H302 (15.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2794 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: 4-methylbenzophenone

Regulation (EC) No 178/2002 (amended)

Methanone, (4-methylphenyl)phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, (4-methylphenyl)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: 08-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21484

Methanone, (4-methylphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (15.8%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
DJ1750000
hs_code
29143990
risk_code
22-36/38-36/37/38
化審法
(9)-2127

化学と産業

用途と製造

U.S. Production2023: 700,000 - <850,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesFiller
General Manufacturing Information · 2 件

Printing and Related Support Activities

Methanone, (4-methylphenyl)phenyl-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用4-Methylbenzophenone is used as clear coatings for wood, plastic and metal, overprint varnish.

一般的な説明4-Methylbenzophenone is a photo-initiator for printing inks, mainly applied to the cardboard boxes used for packing. It is reported to be a non-genotoxic carcinogen. However, it can contaminate foodstuffs when it comes in contact with the package contents.

調製方法

純化方法Crystallise the ketone from MeOH, Et2O (m 58-59o) or pet ether. The cis-oxime has m 154o(153-156o) (from EtOH), and the trans-oxime has m 114-116o (from pet ether). [Beilstein 7 H 440, 7 III 2127, 7 IV 1403.]

上流・下流製品情報

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