Basic information
- CAS
1010-99-7- Standard SMILES
Cc1cc(O)c(O)c(C(C)(C)C)c1- InChIKey
YKYXORJDSTUCTN-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 3-(1,1-Dimethylethyl)-5-methyl-1,2-benzenediol
- IUPAC
- 3-tert-butyl-5-methylbenzene-1,2-diol
- English name
- 3-tert-butyl-5-methylpyrocatechol
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
3-tert-Butyl-5-methylpyrocatechol1010-99-7ET3NB8DS2NNSC-1789923-(1,1-DIMETHYLETHYL)-5-METHYL-1,2-BENZENEDIOLDTXSID00143628RefChem:1066354DTXCID0066119213-778-33-tert-butyl-5-methylbenzene-1,2-diol3-tert-Butyl-5-methylcatechol1,2-Benzenediol, 3-(1,1-dimethylethyl)-5-methyl-
Show more names
3-(tert-butyl)-5-methylbenzene-1,2-diolC03929EINECS 213-778-3AC1L24M5CTK3J9545UNII-ET3NB8DS2N3-t-butyl-5-methylcatecholSCHEMBL1374664
Database identifiers
- CAS
1010-99-7- PubChem CID
- 66095
- DTXSID
DTXSID00143628- UNII
- ET3NB8DS2N
- EC Number
- 213-778-3
- Nikkaji
- J217.127I
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
Physicochemical properties
- FDA UNII
- 3 NB8DS2N · ET3NB8DS2N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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