4,4'-Methylenebis(2,6-di-tert-butylphenol) (HCID 8372)

名称と識別子

優先名称: 4,4'-Methylenebis(2,6-di-tert-butylphenol)
IUPAC: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
現地名: 4,4'-メチレンビス(2,6-ジ-tert-ブチルフェノール)
英語名: 4,4'-Methylenebis(2,6-di-tert-butylphenol)
分子式: C29H44O2
分子量: 424.66

名称と別名

118-82-14,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)Ionox 220Binox MAntioxidant E 702Ethyl 7024,4'-Methylenebis(2,6-di-t-butylphenol)MB 1 (Antioxidant)Ionox 220 antioxidantLZ-MB 1Etil 702L 3MB1

名称をさらに表示

4,4'-メチレンビス(2,6-ジ-tert-ブチルフェノール)4,4'-メチレンビス[2,6-ビス(1,1-ジメチルエチル)フェノール]4,4'-メチレンビス(2,6-ジ-t-ブチルフェノール)4,4'-メチレンビス[2,6-ビス(tert-ブチル)フェノール]4,4'-メチリデンビス(2,6-ジ-tert-ブチルフェノール)ビス(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)メタンイオノックス2204,4'-メチレンビス[2,6-ジ(tert-ブチル)フェノール]抗酸化剤702テトラtert-ブチルビスフェノールF4,4'-メチレンビス(2,6-ジtert-ブチルフェノール)抗酸化剤728酸化防止剤702酸化防止剤728４，４’メチレンビス（２，６ジｔブチルフェノル）2,2',6,6'-テトラ-ｔｅｒｔ-ブチル-4,4'-メチレンジフェノール2，2’，6，6’-テトラ-tert-ブチル-4，4’-メチレンジフェノールETHANOX® 702EthanoxR 7022,2',6,6'-ﾃﾄﾗ-t-ﾌﾞﾁﾙ-4,4'-ﾒﾁﾚﾝｼﾞﾌｪﾉｰﾙ(別名:4,4'-ﾒﾁﾚﾝﾋﾞｽ(2,6-ｼﾞ-t-ﾌﾞﾁﾙﾌｪﾉｰﾙ))Antioxidant 702antioxidante702e702l3mb1lz-mb1bimoxmbinoxmetil702

E 702DTXSID7022411Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-Phenol, 4,4'-methylenebis(2,6-di-tert-butyl-VANLUBE DTBPhenol, 4,4'-methylenebis(2,6-bis(1,1-dimethylethyl)-NSC-30551AGIDOL 23

データベース識別子

CAS: 118-82-1
PubChem CID: 8372
DTXSID: DTXSID7022411
ChEMBL: CHEMBL1795577
ChEBI: CHEBI:34369
UNII: 37N5K66648
EC Number: 204-279-1
Nikkaji: J39.600A

物性

構造計算による物性

XLogP: 9.8
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 6
重原子数: 31
形式電荷: 0
複雑度: 480

実験および物理化学的性質

Physical Description · 2 件

Dry Powder

White or yellow powder; [Alfa Aesar MSDS]

Collision Cross Section221.2 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7022411]

物理化学的性質

融点: 155 · 155-159 °C(lit.)
沸点: 289 °C40 · 289 °C40 mm Hg(lit.)
比重(密度): 0.99 g/cm3 · 0.99 g/cm3 (20℃)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.4875 · 1.4875 (estimate)
闪点: 289 °C/40mm · 289°C/40mm
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 0.0001 g/l · <0.0001g/l
酸解離定数(Pka): 12.03 · 12.03±0.40(Predicted)
外見: 個体
色: 白い
水溶解度: 31.9 ng/L · 31.9ng/L at 20℃
BRN: 1916919 · 1916919
安定性: 2 · 購入日から2年間安定です。解は不安定です。ソリューションは新鮮で、1 営業日以内に使用する必要があります。
InChI: 1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3
InChIKey: MDWVSAYEQPLWMX-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
LogP: 8.9 at · 8.9 at 25℃
CAS データベース: 118 · 118-82-1(CAS DataBase Reference)
NISTの化学物質情報: 4 · Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-(118-82-1)
EPAの化学物質情報: 4 · Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- (118-82-1)

化学的性質

化学的特性light yellow crystalline

安全と法規制

GHS分類

GHS Classification · 4 件

This chemical does not meet GHS hazard criteria for 65.9% (571 of 866) of all reports.

H413 (18.2%): 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 866 reports by companies from 9 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 571 of 866 reports by companies.；There are 8 notifications provided by 295 of 866 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 4 件

Chemical: Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-

Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- 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: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13429

Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

A skin and eye irritant in rabbits; No mortality or gross lesions observed in oral lethal-dose study of rats at 5,000 mg/kg; Another lethal-dose study of rats produced increasing severity of hepatic degeneration in animals that died (doses of 4,700-36,000 mg/kg); No mortality or symptoms of systemic toxicity observed in dermal lethal-dose study of rats at doses up to 36,000 mg/kg; [IUCLID] Causes ulceration or bleeding from the large intestine and fibrous hepatitis (cirrhosis, post necrotic scarring) in 2-year constant feeding studies of dogs; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See 2,2'-Methylenebis(6-t-butyl-4-ethylphenol).

Hazard Classes and CategoriesAquatic Chronic 4 (18.2%)

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

法規制情報

Regulatory Information · 4 件

Chemical: Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-

Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- 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: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13429

Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 1
tsca: TSCA listed
rtecs: SL9650000
毒性: LD50 oral in rat: > 24gm/kg
hs_code: 29072990
risk_code: 36/37/38-38-37-36
化審法: (4)-39 監視化学物質
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesUsed in the fuel, polymers, and lubricant blending industries; Used as an antioxidant additive in petroleum-based lubricants; [IUCLID]

U.S. Production2023: <25,000 lb；2022: <25,000 lb；2021: 850,000 - <1,000,000 lb；2020: 400,000 - <550,000 lb

Industry UsesAnti-slip agent；Lubricating agent；Antioxidant

Household ProductsInformation on 3 consumer products that contain 4,4-Methylenebis(2,6-di-tert-butylphenol) in the following categories is provided:；• Auto Products

Use Classification · 2 件

Plastics -> Antioxidants

Plastics -> Polymer Type -> N.a.

General Manufacturing Information · 2 件

Petroleum Lubricating Oil and Grease Manufacturing

Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-: ACTIVE