3-Methyl-5-(1,1,3,3-tetramethylbutyl)pyrocatechol
Basic information
- CAS
2563-08-8- Standard SMILES
Cc1cc(C(C)(C)CC(C)(C)C)cc(O)c1O- InChIKey
OKBGUIZGNSPYGU-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Names & identifiers
- Preferred name
- 3-Methyl-5-(1,1,3,3-tetramethylbutyl)pyrocatechol
- IUPAC
- 3-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
- English name
- 3-methyl-5-(1,1,3,3-tetramethylbutyl)pyrocatechol
- Molecular formula
- C15H24O2
- Molecular weight
- 236.35
Names & synonyms
2563-08-83-Methyl-5-(1,1,3,3-tetramethylbutyl)pyrocatecholX7SS9GUA9Q1,2-benzenediol, 3-methyl-5-(1,1,3,3-tetramethylbutyl)-NSC-1633713-Methyl-5-(1,1,3,3-tetramethylbutyl)-1,2-benzenediolDTXSID70180308EINECS 219-886-7NSC 163371RefChem:94786DTXCID40102799219-886-7
Show more names
NSC1633713-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diolUNII-X7SS9GUA9Q3-methyl-5-t-octylcatecholSCHEMBL7942444AKOS024332288NS00027929
Database identifiers
- CAS
2563-08-8- PubChem CID
- 75716
- DTXSID
DTXSID70180308- UNII
- X7SS9GUA9Q
- EC Number
- 219-886-7
- Nikkaji
- J192.064B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 7 SS9GUA9Q · X7SS9GUA9Q
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H318-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
2 records
Compound notes
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