Basic information
- Standard SMILES
CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
MDWVSAYEQPLWMX-UHFFFAOYSA-N- Molecular formula
- C29H44O2
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.33413064
Names & identifiers
- Preferred name
- 4,4'-Methylenebis(2,6-di-tert-butylphenol)
- IUPAC
- 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
- English name
- 4,4'-Methylenebis(2,6-di-tert-butylphenol)
- Molecular formula
- C29H44O2
- Molecular weight
- 424.66
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
118-82-1- PubChem CID
- 8372
- DTXSID
DTXSID7022411- ChEMBL
CHEMBL1795577- ChEBI
CHEBI:34369- UNII
- 37N5K66648
- EC Number
- 204-279-1
- Nikkaji
- J39.600A
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 480
Experimental & physicochemical properties
Physical Description
Dry Powder
White or yellow powder; [Alfa Aesar MSDS]
Collision Cross Section221.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7022411]
Physicochemical properties
- Melting point
- 155 · 155-159 °C(lit.)
- Boiling point
- 289 °C40 · 289 °C40 mm Hg(lit.)
- Density
- 0.99 g/cm3 · 0.99 g/cm3 (20℃)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.4875 · 1.4875 (estimate)
- Flash point
- 289 °C/40mm · 289°C/40mm
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 0.0001 g/l · <0.0001g/l
- pka
- 12.03 · 12.03±0.40(Predicted)
- form
- solid
- color
- White
- Water Solubility
- 31.9 ng/L · 31.9ng/L at 20℃
- BRN
- 1916919 · 1916919
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions are not stable. Solutions must be made fresh and used within 1 working day.
- 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 DataBase Reference
- 118 · 118-82-1(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- 4 · 4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)
- FDA 21 CFR
- 175.105 · 175.105; 178.2010
- FDA UNII
- 37 N5K66648 · 37N5K66648
- NIST Chemistry Reference
- 4 · Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-(118-82-1)
- EPA Substance Registry System
- 4 · Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- (118-82-1)
- UNSPSC Code
- 12352104 · 12352104
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-38-37-36
- Safety Statements
- 26 · 26-36
- WGK Germany
- 1 · 1
- RTECS
- 9650000 · SL9650000
- TSCA
- TSCA listed
- HS Code
- 29072990 · 29072990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 oral · LD50 oral in rat: > 24gm/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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
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%)
Toxicology
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.
Regulatory information
Regulatory Information
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
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- SL9650000
- hs_code
- 29072990
- Toxicity
- LD50 oral in rat: > 24gm/kg
- risk_code
- 36/37/38-38-37-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
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
Plastics -> Antioxidants
Plastics -> Polymer Type -> N.a.
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-: ACTIVE
Applications
Descriptionbis-BHT (118-82-1) is a potent antioxidant. Cell permeable.
UsesAntioxidant.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
阜阳瑞丹新材料科技有限公司13861916552 18112233091
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河北缤享新材料科技有限公司+8618633865755 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北健楚生物医药有限公司027-65528353 13554206703
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉欣扬瑞和化学科技有限公司027-83855316 18171155316
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海皋翔化工有限公司021-57816257 18930243658 · [email protected]
湖北楚烁生物科技有限公司19107272865
上海湄水化工科技有限公司021-60549325 18616193163
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [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]
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]
Alfa Chemistry+1-5166625404 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
湖北阡陌生物科技有限公司0711-3812399 18062309155 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
Additional notes
DefinitionChEBI: 4,4'-Methylenebis(2,6-di-tert-butylphenol) is a diarylmethane.
Related reactions
8 records
Linked notes
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