2,2-Dimethoxy-2-phenylacetophenone (HCID 90571)

概要

2,2-dimethoxy-2-phenylacetophenone has been reported in Camellia sinensis with data available.

名称と識別子

優先名称: 2,2-Dimethoxy-2-phenylacetophenone
IUPAC: 2,2-dimethoxy-1,2-diphenylethanone
現地名: 2,2-ジメトキシ-2-フェニルアセトフェノン
英語名: 2,2-Dimethoxy-2-phenylacetophenone
分子式: C16H16O3
分子量: 256.3

名称と別名

2,2-Dimethoxy-2-phenylacetophenone24650-42-82,2-Dimethoxy-1,2-diphenylethanoneBenzil dimethyl ketalIrgacure 651Ethanone, 2,2-dimethoxy-1,2-diphenyl-Kayacure BDMKBenzil dimethyl acetalEsacure KB 11,2-Diphenyl-2,2-dimethoxyethanoneLucirin BDKPhotomer 51

名称をさらに表示

2,2-ジメトキシ-2-フェニルアセトフェノン2,2-ジメトキシ-1,2-ジフェニルエタン-1-オンα,α-ジメトキシベンジルフェニルケトンベンジルジメチルケタール1,2-ジフェニル-2,2-ジメトキシエタン-1-オンω,ω-ジメトキシ-ω-フェニルアセトフェノンα-フェニル-α,α-ジメトキシアセトフェノンα,α-ジメトキシデオキシベンゾイン1,2-ジフェニル-2,2-ジメトキシエタノンイルガキュア651フェニル(α,α-ジメトキシベンジル)ケトン1,1-ジメトキシ-1,2-ジフェニル-2-オキソエタン2,2-ジメトキシ-1,2-ジフェニルエタノンα,α-ジメトキシ-α-フェニルアセトフェノンフェニル[ジメトキシ(フェニル)メチル]ケトンベンジルジメチルケタル2，2ジメトキシ1，2ジフェニルエタン1オン２，２ジメトキシ２フェニルアセトフェノン2，2-ジメトキシ-2-フエニルアセトフエノンフェニルジメチルメトキシアセトフェノンDMPABDK2,2-bimethoxy-2-phenylacetophenoneirgacure6512,2-dimethoxy-1,2-diphenylethan-1-oneirg651Benzoin dimethyl etherIHT-PI BDKBenzoin diMethyl ether (DMPA)

Irgacure 621Irgacure 641Irgacure E 651Irgacure I 651Benzil mono(dimethyl ketal)Benzil mono(dimethyl acetal)Phenyldimethoxyacetophenone2,2-Dimethoxyphenylacetophenone

データベース識別子

CAS: 24650-42-8
PubChem CID: 90571
DTXSID: DTXSID7037715
ChEMBL: CHEMBL364734
UNII: 1DK0094V28
EC Number: 246-386-6
Nikkaji: J208.403A

物性

構造計算による物性

XLogP: 3
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 19
形式電荷: 0
複雑度: 284

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Aromatic Compounds

Endocrine DisruptorsPotential endocrine disrupting compound

Physical Description · 2 件

Dry Powder; Large Crystals

Colorless crystalline solid; [Sigma-Aldrich MSDS]

Collision Cross Section170.6 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7037715]

物理化学的性質

融点: 67 · 67-70 °C(lit.)
沸点: 169 °C · 169°C 7mm
比重(密度): 1.132 · 1.1320 (rough estimate)
蒸気圧: 0.002 Pa · 0.002Pa at 25℃
屈折率: 1.559 · 1.5590 (estimate)
闪点: 190 °C · 190 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 20 mg/mL、透明 · 塩化メチレン: 20 mg/mL、透明
外見: 結晶性粉末
色: 白色～淡黄色
水溶解度: 66.32 mg/L · 66.32mg/L at 25℃
BRN: 2054295 · 2054295
安定性: 安定性安定していますが、光に敏感です。可燃性。強酸、強酸化剤とは相容れない。
化粧品成分の機能: 香料
InChI: 1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKey: KWVGIHKZDCUPEU-UHFFFAOYSA-N
SMILES: COC(OC)(C(=O)c1ccccc1)c2ccccc2
LogP: 2.95 at · 2.95 at 25℃
CAS データベース: 24650 · 24650-42-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · Ethanone, 2,2-dimethoxy-1,2-diphenyl-(24650-42-8)
EPAの化学物質情報: 2 · Ethanone, 2,2-dimethoxy-1,2-diphenyl- (24650-42-8)

化学的性質

化学的特性solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.3% (10 of 3373) of reports.

Warning

H302 (65.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3373 reports by companies from 26 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Ethanone, 2,2-dimethoxy-1,2-diphenyl-

Ethanone, 2,2-dimethoxy-1,2-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 2,2-dimethoxy-1,2-diphenyl- 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: 10-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5410

Ethanone, 2,2-dimethoxy-1,2-diphenyl-: Non hazardous

Hazards Summary · 1 件

Causes other liver changes and changes in liver and kidney weights in 90-day constant oral studies of rats; [RTECS] May cause irritation and respiratory sensitization; Causes photosensitivity, with light induced allergic reactions ranging from sunburn-like reactions to edematous, vesiculated lesions, or bullae; [Sigma-Aldrich MSDS] A mild eye irritant; No sensitization observed in experimental animals; [IGM Resins MSDS] See Benzoin.

Hazard Classes and CategoriesAcute Tox. 4 (65.1%)

毒性情報

Adverse EffectsDermatotoxin - PACD (photoallergic contact dermatitis).

安全データ

F: 8
wgk: 2
tsca: TSCA listed
rtecs: KM5775658
ridadr: UN 3077 9/PG 3
hs_code: 29145090
risk_code: 43-50/53
化審法: (4)-1357
hazard_code: Xi,N
safety_code: 36/37-60-61
hazard_class: 9
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3STOT RE 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Uses · 2 件

Used to make large scale chemicals; [ExPub: ECHA REACH Registrations] Used as a photo-initiator for UV-curable inks, coatings, adhesives, fillers, etc.; [IGM Resins MSDS]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

U.S. Production2023: 250,000 - <400,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesTanning agents not otherwise specified

General Manufacturing Information · 2 件

Miscellaneous Manufacturing

Ethanone, 2,2-dimethoxy-1,2-diphenyl-: ACTIVE