Basic information
- CAS
101-58-6- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(Oc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1- InChIKey
AJDONJVWDSZZQF-UHFFFAOYSA-N- Molecular formula
- C28H42O
- Average molar mass
- 394.6 g/mol
- Monoisotopic mass
- 394.32356596
Names & identifiers
- Preferred name
- Benzene, 1,1'-oxybis(4-(1,1,3,3-tetramethylbutyl)-
- IUPAC
- 1-(2,4,4-trimethylpentan-2-yl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzene
- English name
- bis(4-(1,1,3,3-tetramethylbutyl)phenyl) ether
- Molecular formula
- C28H42O
- Molecular weight
- 394.63
Names & synonyms
Benzene, 1,1'-oxybis[4-(1,1,3,3-tetramethylbutyl)-Benzene, 1,1'-oxybis(4-(1,1,3,3-tetramethylbutyl)-RefChem:562199101-58-6Bis(4-(1,1,3,3-tetramethylbutyl)phenyl) ether1-(2,4,4-trimethylpentan-2-yl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzeneBis[4-(1,1,3,3-tetramethylbutyl)phenyl] ether2,2,4-trimethyl-4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]pentaneBenzene, oxybis((1,1,3,3-tetramethylbutyl)-EINECS 202-956-6p-t-octylphenyl ether3JB7RM7R5K
Show more names
1,1'-Oxybis[4-(1,1,3,3-tetramethylbutyl)benzene]Benzene, 1,1'-oxybis[4-(1,1,3,3-tetramethylbutyl)- (9CI)
SCHEMBL4806684,4'-Oxybis((2,4,4-trimethylpentan-2-yl)benzene)DTXSID80905882AJDONJVWDSZZQF-UHFFFAOYSA-NNS00003188Bis(4-(1,1,3,3-tetramethylbutyl)phenyl)etherBenzene,1,1'-oxybis[4-(1,1,3,3-tetramethylbutyl)-1,1'-Oxybis[4-(2,4,4-trimethylpentan-2-yl)benzene]
Database identifiers
- CAS
101-58-6、61702-88-3- PubChem CID
- 66867
- DTXSID
DTXSID80905882- UNII
- 3JB7RM7R5K
- EC Number
- 202-956-6
- Nikkaji
- J182.145H
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 210 · 210-215 °C(Press: 3 Torr)
- Density
- 0.944 · 0.944-0.952 g/cm3(Temp: 20-25 °C)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Bis(4-(1,1,3,3-tetramethylbutyl)phenyl) ether (EC: 202-956-6)
Hazard Classes and CategoriesSkin Sens. 1 (33.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H317
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers9 total
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]
上海三牧化工技术有限公司021-38681880 13817889927 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
凯姆斯（苏州）生物科技有限公司0512-67903504 13814824891;13814824891 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
杭州艾可思医药科技有限公司+86-0571-89301730 +86-18337276608 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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