2,2-ジメチル-1-(4-フェノキシフェニル)-1-プロパノン

1-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-

HCID 41633CAS 55814-54-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)C(=O)c1ccc(Oc2ccccc2)cc1
InChIKey: ITEMAFJPIQQQMO-UHFFFAOYSA-N
分子式: C17H18O2
平均分子量: 254.32 g/mol
単同位体質量: 254.13067981

名称と識別子

優先名称: 1-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-
IUPAC: 2,2-dimethyl-1-(4-phenoxyphenyl)propan-1-one
現地名: 2,2-ジメチル-1-(4-フェノキシフェニル)-1-プロパノン
英語名: TERT-BUTYL 4-PHENOXYPHENYL KETONE)
分子式: C17H18O2
分子量: 254.32

名称と別名

55814-54-51-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-KSX92RLB294-PHENOXY-PIVALOPHENONEtert-Butyl 4-phenoxyphenyl ketoneDTXSID402044092,2-Dimethyl-1-(4-phenoxyphenyl)-1-propanoneRefChem:436312DTXCID90126900684-352-62,2-dimethyl-1-(4-phenoxyphenyl)propan-1-one4'-Phenoxypivalophenone

名称をさらに表示

tert-ブチルp-フェノキシフェニルケトン2,2-ジメチル-1-(4-フェノキシフェニル)-1-プロパノンtert-ブチル(4-フェノキシフェニル)ケトン2,2-ジメチル-3-(p-フェノキシフェニル)プロパン-3-オンα,α-ジメチル-4'-フェノキシプロピオフェノンα,α-ジメチル-4′-フェノキシプロピオフェノン2,2-ジメチル-1-(4-フェノキシフェニル)プロパン-1-オンtert-Butyl p-phenoxyphenyl ketoneα,α-Dimethyl-4'-phenoxypropiophenone2,2-Dimethyl-3-(p-phenoxyphenyl)propan-3-one

2,2-Dimethyl-1-(4-phenoxy-phenyl)-propan-1-oneTERT-BUTYL 4-PHENOXYPHENYL KETONE)MFCD00009856p-phenoxypivalophenoneUNII-KSX92RLB29SCHEMBL8357803SBB057779AKOS009157341

データベース識別子

CAS: 55814-54-5
PubChem CID: 41633
DTXSID: DTXSID40204409
UNII: KSX92RLB29
EC Number: 684-352-6
Nikkaji: J236.401H

物性

構造計算による物性

XLogP: 4.5
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: 4
重原子数: 19
形式電荷: 0
複雑度: 289

物理化学的性質

融点: 52 · 52-54 °C(lit.)
沸点: 175 °C/3 · 175 °C/3 mmHg(lit.)
比重(密度): 1.0621 · 1.0621 (rough estimate)
屈折率: 1.589 · 1.5890 (estimate)
闪点: 113 °C · 113 °C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 38 reports by companies from 1 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39

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