基本情報
- CAS
80693-00-1- 標準SMILES
Cc1cc(C(C)(C)C)c(OP2OCC3(CO2)COP(Oc2c(C(C)(C)C)cc(C)cc2C(C)(C)C)OC3)c(C(C)(C)C)c1- InChIKey
SSADPHQCUURWSW-UHFFFAOYSA-N- 分子式
- C35H54O6P2
- 平均分子量
- 632.7 g/mol
- 単同位体質量
- 632.33956343
名称と識別子
- 優先名称
- Bis(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphite
- IUPAC
- 3,9-bis(2,6-ditert-butyl-4-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
- 現地名
- 3,9-ビス(2,6-ジ-tert-ブチル-4-メチルフェノキシ)-2,4,8,10-テトラオキサ-3,9-ジホスファスピロ[5.5]ウンデカン
- 英語名
- Bis(2,6-di-ter-butyl-4-methylphenyl)pentaerythritol-diphosphite
- 分子式
- C35H54O6P2
- 分子量
- 632.75
名称と別名
80693-00-1bis(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphite3,9-BIS(2,6-DI-TERT-BUTYL-4-METHYLPHENOXY)-2,4,8,10-TETRAOXA-3,9-DIPHOSPHASPIRO[5.5]UNDECANE7SWK0D7KBUEC 410-290-42,4,8,10-Tetraoxa-3,9-diphosphaspiro(5.5)undecane, 3,9-bis(2,6-bis(1,1-dimethylethyl)-4-methylphenoxy)-3,9-Bis(2,6-di-tert-butyl-4-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]-di(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphitePENTAERYTHRITOL BIS((2,6-DI-TERT-BUTYL-4-METHYLPHENYL)PHOSPHITE)RefChem:568628410-290-4
名称をさらに表示
2,2'-ビス(2,6-ジ-tert-ブチル-4-メチルフェノキシ)スピロ[4H-1,3,2-ジオキサホスホリン-5(6H),5'(6'H)-[4H-1,3,2]ジオキサホスホリン]3,9-ビス(2,6-ジ-tert-ブチル-4-メチルフェニルオキシ)-2,4,8,10-テトラオキサ-3,9-ジホスファスピロ[5.5]ウンデカン3,9-ビス(2,6-ジ-tert-ブチル-4-メチルフェノキシ)-2,4,8,10-テトラオキサ-3,9-ジホスファスピロ[5.5]ウンデカン2,2'-ビス(2,6-ジ-tert-ブチル-4-メチルフェノキシ)スピロ[1,3,2-ジオキサホスホリナン-5,5'-[1,3,2]ジオキサホスホリナン]
物性
構造計算による物性
- XLogP
- 10.6
- 極性表面積
- 55.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 8
- 重原子数
- 43
- 形式電荷
- 0
- 複雑度
- 774
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
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionDry Powder
物理化学的性質
- 融点
- 235 · 235-240°C
- 沸点
- 577 · 577.0±50.0 °C(Predicted)
- 比重(密度)
- 1.19 · 1.19[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 溶解性
- 225.1 in · 225.1 in mg/100g standard fat at 20 ℃
- 水溶解度
- 10 μg/L · 10μg/L at 20℃
- InChIKey
- SSADPHQCUURWSW-UHFFFAOYSA-N
- SMILES
- C1C2(COP(OC3=C(C(C)(C)C)C=C(C)C=C3C(C)(C)C)OC2)COP(OC2=C(C(C)(C)C)C=C(C)C=C2C(C)(C)C)O1
- LogP
- 6 at · 6 at 25℃
- EPAの化学物質情報
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
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 179 reports by companies from 3 notifications to the ECHA C&L Inventory.
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
危険有害性情報
Regulatory Information
Chemical: 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]-
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 3,9-bis(2,6-di-tert-butyl-4-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (EC: 410-290-4)
Hazard Classes and Categories
Aquatic Chronic 4 (100%)
Hazardous to the aquatic environment (chronic) - category 4
Aquatic Chronic 4
安全データ
- tsca
- TSCA listed
- risk_code
- 53
- 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
U.S. Production2023: 113,308 lb
Consumer UsesOther
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information
Plastics Material and Resin Manufacturing
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]-: ACTIVE
補足説明
定義The antioxidant 626, the antioxidant 9228, and the antioxidant bis (2, 6-di-tert-butyl-4-methylphenyl) pentaerythritol diphosphite (PEP-36) are representative high-performance phosphite antioxidants containing spiro rings. Compared with the general phosphite antioxidants, the antioxidant has higher antioxidant activity due to the unique spiro structure. It can be widely applied to middle and high-end formulas of general plastics and engineering plastics with harsh processing conditions. Bis (2, 6-di-tert-butyl-4-methylphenyl) pentaerythritol diphosphite is a highly effective phosphite antioxidant variety developed by Asahi Denka Kogyo Co, 20th century, late 80s to early 90s, molecular formula: C35H54O6P2, the molecular weight of 632.75, the melting point of 235-240 ℃, the flash point of 380.5 ℃ and the trade name of PEP-36.
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