Basic information
- CAS
10551-36-7- Standard SMILES
CCCCCCCCc1cc(O)c(CCCCCCCC)cc1O- InChIKey
QVLXDGDLLZYJAM-UHFFFAOYSA-N- Molecular formula
- C22H38O2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.28718046
Names & identifiers
- Preferred name
- 1,4-Benzenediol, 2,5-dioctyl-
- IUPAC
- 2,5-dioctylbenzene-1,4-diol
- English name
- 2,5-dioctylhydroquinone
- Molecular formula
- C22H38O2
- Molecular weight
- 334.54
Names & synonyms
1,4-Benzenediol, 2,5-dioctyl-10551-36-7V1NV6XM3CIEINECS 234-136-92,5-Dioctyl-1,4-benzenediolDTXSID7065122RefChem:416282DTXCID30329632,5-dioctylbenzene-1,4-diol2,5-DioctylhydroquinoneUNII-V1NV6XM3CISCHEMBL325823
Show more names
2,5-dioctyl-benzene-1,4-diolDB-279094NS00023381
Database identifiers
- CAS
10551-36-7- PubChem CID
- 82723
- DTXSID
DTXSID7065122- UNII
- V1NV6XM3CI
- EC Number
- 234-136-9
- Nikkaji
- J141.454B
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 82 · 82-83 °C
- Boiling point
- 473.5 · 473.5±40.0 °C(Predicted)
- Density
- 0.955 · 0.955±0.06 g/cm3(Predicted)
- pka
- 10.79 · 10.79±0.48(Predicted)
- FDA UNII
- 1 NV6XM3CI · V1NV6XM3CI
- EPA Substance Registry System
- 1 · 1,4-Benzenediol, 2,5-dioctyl- (10551-36-7)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: 1,4-Benzenediol, 2,5-dioctyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediol, 2,5-dioctyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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