基本情報
- 標準SMILES
CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1- InChIKey
FLPKSBDJMLUTEX-UHFFFAOYSA-N- 分子式
- C42H72N2O5
- 平均分子量
- 685 g/mol
- 単同位体質量
- 684.5441234
名称と識別子
- 優先名称
- Propanedioic acid, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-2-butyl-, 1,3-bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester
- IUPAC
- bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
- 現地名
- 2-[[3,5-ビス(1,1-ジメチルエチル)-4-ヒドロキシフェニル]メチル]-2-ブチルプロパン二酸ビス[1,2,2,6,6-ペンタメチル-4-ピペリジニル]
- 英語名
- UV 144
- 分子式
- C42H72N2O5
- 分子量
- 685.03
名称と別名
名称をさらに表示
データベース識別子
- CAS
63843-89-0- PubChem CID
- 93348
- DTXSID
DTXSID1070014- EC Number
- 264-513-3
- Nikkaji
- J33.565G
物性
構造計算による物性
- XLogP
- 10.6
- 極性表面積
- 79.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 13
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,040
実験および物理化学的性質
Polymers
Plastics -> PMMA
Plastics -> Light stabilisers
物理化学的性質
- 融点
- 147 · 147-149 °C(Solv: methanol (67-56-1); tetrahydrofuran (109-99-9))
- 沸点
- 695.48 °C · 695.48°C (rough estimate)
- 比重(密度)
- 1.0062 · 1.0062 (rough estimate)
- 屈折率
- 1.467 · 1.4670 (estimate)
- 酸解離定数(Pka)
- 11.99 · 11.99±0.40(Predicted)
- 水溶解度
- 1 mg/L · 1mg/L at 20℃
- InChIKey
- FLPKSBDJMLUTEX-UHFFFAOYSA-N
- SMILES
- C(OC1CC(C)(C)N(C)C(C)(C)C1)(=O)C(CC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)(CCCC)C(OC1CC(C)(C)N(C)C(C)(C)C1)=O
- CAS データベース
- 63843 · 63843-89-0(CAS DataBase Reference)
- EPAの化学物質情報
- Di-(1,2,2,6,6-pentamethyl-4-piperidyl)-2-butyl-2-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate (63843-89-0)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (5 of 771) of reports.
Danger
H302 (99.4%): 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 771 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Propanedioic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]butyl-, bis(1,2,2,6,6-pentamethyl-4-piperidinyl)ester
Propanedioic acid, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-2-butyl-, 1,3-bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanedioic acid, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-2-butyl-, 1,3-bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester 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: 13-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15782
Propanedioic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylmethylbutyl-, bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester: Does not have an individual approval but may be used under an appropriate group standard
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
用途と製造
Use Classification
Plastics -> Polymer Type -> PMMA
Plastics -> Light stabilisers
General Manufacturing Information
Not Known or Reasonably Ascertainable
Propanedioic acid, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-2-butyl-, 1,3-bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester: ACTIVE
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