Basic information
- CAS
2213-67-4- Standard SMILES
Cc1ccc(C(C)(C)C)c(O)c1O- InChIKey
GXVJJTLDTNWPON-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 3-tert-Butyl-6-methylpyrocatechol
- IUPAC
- 3-tert-butyl-6-methylbenzene-1,2-diol
- English name
- 3-tert-butyl-6-methylpyrocatechol
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24354
Names & synonyms
2213-67-43-tert-Butyl-6-methylpyrocatechol3-tert-butyl-6-methylbenzene-1,2-diol6-TERT-BUTYL-3-METHYLCATECHOLEINECS 218-669-4NSC1639543-(tert-butyl)-6-methylbenzene-1,2-diolSCHEMBL3461711DTXSID80176656GXVJJTLDTNWPON-UHFFFAOYSA-NAKOS024332447NSC 163954
Show more names
3-tert-Butyl-6-methylcatechol1,2-Benzenediol,3-(1,1-dimethylethyl)-6-methyl-
NSC-1639543-tert-butyl-6-methyl-1,2-benzenediolNS00027072EN300-1599489
Database identifiers
- CAS
2213-67-4- PubChem CID
- 75174
- DTXSID
DTXSID80176656- EC Number
- 218-669-4
- Nikkaji
- J299.168C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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