基本情報
- CAS
58446-52-9- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1- InChIKey
LRQGFQDEQPZDQC-UHFFFAOYSA-N- 分子式
- C26H42O2
- 平均分子量
- 386.6 g/mol
- 単同位体質量
- 386.31848058
概要
1-Phenyl-1,3-eicosanedione is an aromatic ketone.
名称と識別子
- 優先名称
- Benzoylstearoylmethane
- IUPAC
- 1-phenylicosane-1,3-dione
- 現地名
- 1-フェニル-1,3-エイコサンジオン
- 英語名
- Stearoylbenzoylmethane
- 分子式
- C26H42O2
- 分子量
- 386.61
名称と別名
1-phenylicosane-1,3-dione58446-52-9StearoylbenzoylmethanePhenylicosane-1,3-dioneBenzoylstearoyl methane1,3-Eicosanedione, 1-phenyl-1-Phenyl-1,3-eicosanedioneBenzoylstearoylmethane07BOC4UG1XSTEARYL BENZOYL METHANERHODIASTAB 50EINECS 261-257-4
名称をさらに表示
オクタデカノイルベンゾイルメタン1-フェニル-1,3-イコサンジオン1-フェニル-1,3-エイコサンジオンアルカノイル（C＝14～22）ベンゾイルメタン1-フェニルイコサン-1,3-ジオンSBMSTEAROYL BENZOYL METHANESbm-50HS-50FAFAR HS-50Organic antiMonyStearoylbenzoylmetha
KARENZ DK 1DTXSID1052246.BETA.-STEAROYLACETOPHENONE1-PHENYLEICOSANE-1,3-DIONEAD 157RefChem:566481BETA-STEAROYLACETOPHENONEDTXCID6030817
データベース識別子
- CAS
58446-52-9- PubChem CID
- 94050
物性
構造計算による物性
- XLogP
- 9.9
- 極性表面積
- 34.1 Ų
- 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
- 19
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 382
実験および物理化学的性質
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid; Dry Powder
物理化学的性質
- 融点
- 56 °C · 56°C
- 沸点
- 493.4 · 493.4±18.0 °C(Predicted)
- 比重(密度)
- 0.931 · 0.931±0.06 g/cm3(Predicted)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 酸解離定数(Pka)
- 8.87 · 8.87±0.23(Predicted)
- CAS データベース
- 58446 · 58446-52-9(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1,3-Eicosanedione, 1-phenyl- (58446-52-9)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 98.4% (62 of 63) of all reports.
Not Classified
Aggregated GHS information provided per 63 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1,3-Eicosanedione, 1-phenyl-
1,3-Eicosanedione, 1-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Eicosanedione, 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)
1,3-Eicosanedione, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
- 化審法
- 新規公示化学物質（2011年3月31日以前届出）
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesHeat stabilizer
Industry UsesHeat stabilizer
General Manufacturing Information
Plastics Product Manufacturing
1,3-Eicosanedione, 1-phenyl-: ACTIVE
応用分野
説明Stearyl Benzoylmethane has high transmittance, non-toxic and tasteless; and solid or liquid calcium / zinc, barium / zinc and other heat stabilizer and can greatlyimprove the initial coloring of PVC, transparency, long-term stability, and processing In the precipitation and “zinc burning” and so on; it ischaracterized by zinc soap has a good synergistic effect, the formula added to the product can effectively inhibit the “zinc burn”, suitable for hard, non-toxic, odorless areas of implementation, promote calcium / Zinc composite stabilizer replacement, widely used in medical, food packaging and other non-toxic transparent PVC products (such as PVC bottles, sheet, transparent film, etc.).
使用Stearoyl benzoyl methane can greatly improve initial coloring performance of PVC, transparency, and long-term stability if it is used with solid or liquid calcium/zinc, barium/zinc and other heat stabilizers. It is widely used in non-toxic and transparent PVC products such as pharmaceutical and food packages.
上流・下流製品情報
上流原料
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