Basic information
- Standard SMILES
Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O- InChIKey
ODJUOZPKKHIEOZ-UHFFFAOYSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763001
Names & identifiers
- Preferred name
- 4,4'-Isopropylidenedi-2,6-xylol
- IUPAC
- 4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
- English name
- 2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane
- Molecular formula
- C19H24O2
- Molecular weight
- 284.39
Names & synonyms
4,4'-Isopropylidenedi-2,6-xylolRefChem:506703227-033-55613-46-72,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)tetramethyl bisphenol ATetramethylbisphenol A4,4'-propane-2,2-diylbis(2,6-dimethylphenol)4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propaneMFCD00068238
Show more names
Nsc73730Bisxylenol ALABOTEST-BB LT00159397Adrenaline Impurity 54bisphenol a, tetramethyl4,4-isopropylidenedi-2,6-xylol3,3’,5,5'-tetramethylbisphenol A4,4'-Isopropylidenedi-2,6-xylenol
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-TetramethylbisphenolADTXSID80479734-[1-(4-Hydroxy-3,5-dimethylphenyl)-1-methylethyl]-2,6-dimethylphenol4,4'-Isopropylidenebis(2,6-dimethylphenol)NSC 73730bis(2,6-dimethylphenol), 2DTXCID4027949
Database identifiers
- CAS
5613-46-7- PubChem CID
- 79717
- DTXSID
DTXSID8047973- ChEMBL
CHEMBL480406- EC Number
- 227-033-5
- Nikkaji
- J225.054C
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder
Collision Cross Section182.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8047973]
Physicochemical properties
- Melting point
- 162 · 162-165 °C (lit.)
- Boiling point
- 420.6 · 420.6±40.0 °C(Predicted)
- Density
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.6 · 10.60±0.10(Predicted)
- color
- Off-White to Pale Brown
- Water Solubility
- 3.17 mg/L · 3.17mg/L at 20℃
- Stability
- Hygroscopic
- InChI
- InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
- InChIKey
- ODJUOZPKKHIEOZ-UHFFFAOYSA-N
- SMILES
- C(C1=CC(C)=C(O)C(C)=C1)(C1=CC(C)=C(O)C(C)=C1)(C)C
- LogP
- 4.51 at · 4.51 at 25℃
- CAS DataBase Reference
- 5613 · 5613-46-7(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- (5613-46-7)
- UNSPSC Code
- 12162002 · 12162002
- 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
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29072990 · 29072990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Warning
H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- 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: 06-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19541
Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29072990
- risk_code
- 36/37/38
- 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
U.S. Production2022: 147,840 lb
Industry UsesFlame retardant
General Manufacturing Information
Plastics Product Manufacturing
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-: ACTIVE
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]
苏州道澜生物医药科技有限公司15952404857 · [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]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
南京道格生物医药科技有限公司025-58227606 18021503536 · [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]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
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武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
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TCI Europe320-37350700 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
盐城奥科联合医药科技有限公司0515-89701588 13770166955 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
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金和盛新材料科技（山东）有限公司15275330359 15275330359 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [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]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
常州安科尔生物科技有限公司0519-85519868 18915088878
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
无锡新恒辉材料有限公司0510-82328705 13771137389 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 031166536426 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
Related reactions
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