Basic information
- CAS
3370-27-2- Standard SMILES
CCC(C)(C)c1cccc(C(C)(C)CC)c1- InChIKey
VMFPJVIZINYTRD-UHFFFAOYSA-N- Molecular formula
- C16H26
- Average molar mass
- 218.38 g/mol
- Monoisotopic mass
- 218.20345083
Names & identifiers
- Preferred name
- Benzene, 1,3-bis(1,1-dimethylpropyl)-
- IUPAC
- 1,3-bis(2-methylbutan-2-yl)benzene
- English name
- m-di-tert-pentylbenzene
- Molecular formula
- C16H26
- Molecular weight
- 218.37764
Names & synonyms
Benzene, 1,3-bis(1,1-dimethylpropyl)-EINECS 222-145-0RefChem:5622683370-27-21,3-di-tert-pentylbenzenem-Di-tert-pentylbenzenem-Di-tert-amylbenzene1,3-bis(2-methylbutan-2-yl)benzeneSCHEMBL55370SCHEMBL677804SCHEMBL779789orb1986448
Show more names
1,3-Bis(1,1-dimethylpropyl)-Benzene
SCHEMBL2825666SCHEMBL5550734SCHEMBL6436866DTXSID3062996VMFPJVIZINYTRD-UHFFFAOYSA-NAKOS0407507501,3-bis(1,1-Dimethylpropyl) benzeneAB89867
Database identifiers
- CAS
3370-27-2- PubChem CID
- 76894
- DTXSID
DTXSID3062996- EC Number
- 222-145-0
- Nikkaji
- J205.455H
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- storage temp.
- Store at Room Tem.
- EPA Substance Registry System
- m-Di-tert-amylbenzene (3370-27-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3-bis(1,1-dimethylpropyl)-: INACTIVE
Suppliers5 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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