2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone
Basic information
- CAS
63123-15-9- Standard SMILES
CC(C)(C)CC(C)(C)c1cc(O)c(C(C)(C)CC(C)(C)C)cc1O- InChIKey
CLDZVCMRASJQFO-UHFFFAOYSA-N- Molecular formula
- C22H38O2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.28718045
Names & identifiers
- Preferred name
- 2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone
- IUPAC
- 2,5-bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
- English name
- bis(1,1,3,3-tetramethylbutyl)hydroquinone
- Molecular formula
- C22H38O2
- Molecular weight
- 334.53592
Names & synonyms
903-19-52,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone63123-15-91,4-Benzenediol, 2,5-bis(1,1,3,3-tetramethylbutyl)-EINECS 212-990-3EINECS 263-867-61,4-Benzenediol, bis(1,1,3,3-tetramethylbutyl)-DTXSID7052733Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediolRefChem:444089DTXCID6031334DTXSID201067805
Show more names
bis(1,1,3,3-tetramethylbutyl)hydroquinone
212-990-32,5-bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diolBistetramethylbutylhydroquinoneMFCD001287972,5-bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol2,5-Bis(1,1,3,3-tetramethylbutyl)benzene-1,4-diolSCHEMBL126587CHEMBL1795397
Database identifiers
- CAS
63123-15-9、903-19-5- PubChem CID
- 70180
- DTXSID
DTXSID7052733- ChEMBL
CHEMBL1795397- EC Number
- 212-990-3、263-867-6
- Nikkaji
- J195.199H
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Benzenediol, bis(1,1,3,3-tetramethylbutyl)- (63123-15-9)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,4-Benzenediol, 2,5-bis(1,1,3,3-tetramethylbutyl)-
Chemical: 1,4-Benzenediol, bis(1,1,3,3-tetramethylbutyl)-
REACH registered substance: 2,5-bis(1,1,3,3-tetramethylbutyl)hydroquinone (EC: 212-990-3)
1,4-Benzenediol, 2,5-bis(1,1,3,3-tetramethylbutyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
1,4-Benzenediol, 2,5-bis(1,1,3,3-tetramethylbutyl)-: ACTIVE
1,4-Benzenediol, bis(1,1,3,3-tetramethylbutyl)-: INACTIVE
Suppliers
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Related reactions
1 records
Compound notes
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