基本情報
- CAS
41484-35-9- 標準SMILES
CC(C)(C)c1cc(CCC(=O)OCCSCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
VFBJXXJYHWLXRM-UHFFFAOYSA-N- 分子式
- C38H58O6S
- 平均分子量
- 642.9 g/mol
- 単同位体質量
- 642.39541074
名称と識別子
- 優先名称
- 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester
- IUPAC
- 2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylsulfanyl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- 現地名
- 2,2'-チオジエチルビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオナート]
- 英語名
- Antioxidant 1035
- 分子式
- C38H58O6S
- 分子量
- 642.94
名称と別名
Irganox 103541484-35-93,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl esterDTXSID7028011Thiodiethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)6F5OZW34JZNaugard EL 50Irganox 1035FFThioethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)Irganox L 1035Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(thiodi-2,1-ethanediyl) esterBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, thiodi-2,1-ethanediyl ester
名称をさらに表示
2,2'-チオジエチルビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオナート]2,2'-チオジエタノールビス(3,5-ジ-tert-ブチル-4-ヒドロキシベンゼンプロパノアート)[2,2'-チオビス(エタノール)]ビス[3-(4-ヒドロキシ-3,5-ジ-tert-ブチルフェニル)プロピオナート]2,2-チオ[ジエチルビス-3(3,5-ジ-t-ブチル-4-ヒドロキシフェニル)プロピオネート]チオジエチレンビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオナート]ビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオン酸]チオビスエチレンビス[2-[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオニルオキシ]エチル]スルフィドビス(3,5-ジ-tert-ブチル-4-ヒドロキシベンゼンプロピオン酸)チオビスエチレンビス(3,5-ジ-tert-ブチル-4-ヒドロキシベンゼンプロパン酸)チオビス(2,1-エタンジイル)4,4'-チオビス[エチレン(オキシ)(カルボニル)(エチレン)]ビス[2,6-ビス(1,1-ジメチルエチル)フェノール]4,4'-[チオビス(エチレンオキシカルボニルエチレン)]ビス(2,6-ジ-tert-ブチルフェノール)イルガノックス1035ビス[3-[3,5-ジ(tert-ブチル)-4-ヒドロキシフェニル]プロピオン酸]チオビスエチレン3,5-ビス(1,1-ジメチルエチル)-4-ヒドロキシベンゼンプロパン酸チオジ-2,1-エタンジイルエステル[2,2′-チオビス(エタノール)]ビス[3-(4-ヒドロキシ-3,5-ジ-tert-ブチルフェニル)プロピオナート]チノックス10352,2′-チオジエタノールビス(3,5-ジ-tert-ブチル-4-ヒドロキシベンゼンプロパノアート)ビス[3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロピオン酸]チオビス(エチレン)4,4′-[チオビス(エチレンオキシカルボニルエチレン)]ビス(2,6-ジ-tert-ブチルフェノール)ビス[3-(4-ヒドロキシ-3,5-ジ-tert-ブチルフェニル)プロパン酸]チオビス(エチレン)AN-1035AO-1035diylesterfenozan30Thanox1035Ianox 1035CHLUMIAO 1035ANTIOXIDANT 1035Antioxidants 1035
DTXCID508011thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]4Hydroxy3,5ditertbutylphenylpropionic acid thioglycolateThiodi2,1ethanediyl bis(3,5ditertbutyl4hydroxyhydrocinnamate)Thiodiethyleneglycolbis(3,5ditertbutyl4hydroxyhydrocinnamate)Bis(2(3(3,5ditertbutyl4hydroxyphenyl)propionyloxy)ethyl)sulfideRefChem:486515Thiodiethylene bis(3(3,5ditertbutyl4hydroxyphenyl)propionate)
データベース識別子
- CAS
41484-35-9- PubChem CID
- 64883
- DTXSID
DTXSID7028011- UNII
- 6F5OZW34JZ
- EC Number
- 255-392-8
- Nikkaji
- J76.355A
物性
構造計算による物性
- XLogP
- 10.4
- 極性表面積
- 118 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 18
- 重原子数
- 45
- 形式電荷
- 0
- 複雑度
- 798
実験および物理化学的性質
Chemical ClassesOther Classes -> Other Organic Compounds
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid; Dry Powder; Other Solid
White to off-white solid; [EPA ChAMP: Hazard Characterization] White to off-white powder, granules, or pellets; Odorless; [Great Lakes Chemical MSDS]
物理化学的性質
- 融点
- 78 °C · 78 °C
- 沸点
- 659.4 · 659.4±55.0 °C(Predicted)
- 比重(密度)
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 12.02 · 12.02±0.40(Predicted)
- 色
- ホワイトからオフホワイト
- InChIKey
- VFBJXXJYHWLXRM-UHFFFAOYSA-N
- SMILES
- C(C1C=C(C(C)(C)C)C(O)=C(C(C)(C)C)C=1)CC(=O)OCCSCCOC(=O)CCC1C=C(C(C)(C)C)C(O)=C(C(C)(C)C)C=1
- CAS データベース
- 41484 · 41484-35-9(CAS DataBase Reference)
- EPAの化学物質情報
- -2 · Thiodi-2,1-ethanediyl bis[3,5-di-tert-butyl-4-hydroxyhydrocinnamate] (41484-35-9)
化学的性質
化学的特性Antioxidant 1035 is a sulfur containing primary (phenolic) antioxidant and heat stabilizer, provides efficient processing stabilization and long-term thermal stability with excellent system compatibility, low color and low volatile.
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 27.4% (278 of 1013) of reports.
H412 (48.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1013 reports by companies from 7 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: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, thiodi-2,1-ethanediyl ester
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(thiodi-2,1-ethanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(thiodi-2,1-ethanediyl) 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)
REACH registered substance: Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] (EC: 255-392-8)
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, thiodi-2,1-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
An oral repeated-dose study of rats produced: 1.) significantly increased relative liver weights at 39 mg/kg/day (with minimal liver hypertrophy); 2.) no adverse effects to male or female reproductive organs; and 3.) a NOAEL of 12.5 mg/kg/day for systemic toxicity; [EPA ChAMP: Hazard Characterization] Causes changes in liver, kidney, and testicular weights in repeated-dose oral studies of rats; [RTECS] Dust may cause mechanical irritation; [Great Lakes Chemical MSDS]
Hazard Classes and CategoriesAquatic Chronic 3 (48.3%)
安全と保護具
Exposure Control and Personal Protection2.0 [mg/m3], inhalable fraction[German Research Foundation (DFG)]
毒性情報
Toxicity DataLC50 (rat) = 6,300 mg/m3/4hr
安全データ
- tsca
- TSCA listed
- rtecs
- DA8342500
- hs_code
- 2930.90.2900
化学と産業
用途と製造
Uses
Used as a stabilizer for polyolefins, elastomers, and other polymers and in synthetic engine oil lubricants; Also approved by the FDA for use in food contact polymers, resins, and adhesives; [EPA ChAMP: Hazard Characterization] Used as an antioxidant; [Great Lakes Chemical MSDS]
U.S. Production2023: 550,000 - <700,000 lb
Consumer UsesMonomers
Industry UsesLubricating agent
General Manufacturing Information
Plastics Product Manufacturing
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(thiodi-2,1-ethanediyl) ester: ACTIVE
応用分野
説明ANTIOXIDANT 1035 is a sulfur containing primary antioxidant and heat stabilizer which is widely used for the process stabilization of polyethylene wire and cable resin applications. It eliminates the concern over micro-contaminants that can affect the insulation properties of the wire, and it also prevents premature gel formation of chemically cross-linked polyethylene during extrusion compounding. It also provides efficient processing stabilization and long-term thermal stability with excellent system compatibility and low color in styrenic polymers, polypropylene, polyurethanes, polyesters, segmented block copolymers, other rubber modified polymers, and elastomers (including EPDM, SBR, carboxylated SBR latex, and polybutadiene and polyisopropene rubber). It also provides excellent stabilization in petroleum-based products, including lubricants (such as turbine oils) petrolatum and higher poly alpha-olefins.
使用Antioxidant 1035 is suitable for polyolefins, linear polyesters, PVC, polyamides, polyurethanes, elastomers, adhesives, most widely used for carbon black containing polymers such as PE and XLPE wire and cable resins, LDPE wire and cable, PVA, polypropylene, elastomer high impact polystyrene. It can be used with auxiliary antioxidant to exert synergistic effect, and the antioxidant performance is better.
上流・下流製品情報
上流原料
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
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北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
昌和化学新材料（江苏）有限公司18020181352 · [email protected]
中山市迪欣化工有限公司19849939632 19849939632 · [email protected]
湖北军瑞生物科技有限公司13971166412 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
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上海炎泽化工有限公司15345144255 19901447308 · [email protected]
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