4-tert-Butyl-5-methoxycatechol
Basic information
- CAS
91352-66-8- Standard SMILES
COc1cc(O)c(O)cc1C(C)(C)C- InChIKey
QKPHPJQVAIJIOL-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 4-tert-Butyl-5-methoxycatechol
- IUPAC
- 4-tert-butyl-5-methoxybenzene-1,2-diol
- English name
- 4-t-Butyl-5-methoxy-1,2-benzenediol
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24
Names & synonyms
91352-66-84-tert-Butyl-5-methoxycatecholDTXSID00326651RefChem:526815DTXCID90277764635-618-54-tert-butyl-5-methoxybenzene-1,2-diol4-t-Butyl-5-methoxy-1,2-benzenediol4-(tert-Butyl)-5-methoxybenzene-1,2-diolNSC6075374-methoxy-5-t-butylcatecholorb320271
Show more names
4-T-BUTYL-5-METHOXYCATECHOL4-TERT-BUTYL-5-METHOXY-CATECHOL4-TERT-BUTYL-5-METHOXYCATECHOL 98+%4-tert-Butyl-5-methoxy-1,2-benzenediol1,2-Benzenediol, 4-(1,1-dimethylethyl)-5-methoxy-
SCHEMBL158789SCHEMBL294331294-tert-butyl-5-methoxy catecholMFCD00132976AKOS006271867NSC-6075374-tert-butyl-5-methoxy-benzene-1,2-diolB8073
Database identifiers
- CAS
91352-66-8- PubChem CID
- 354847
- DTXSID
DTXSID00326651- EC Number
- 635-618-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 353.2 · 353.2±42.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 9.66 · 9.66±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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