Basic information
- CAS
2213-68-5- Standard SMILES
Cc1cc(O)c(O)c(C(C)(C)CC(C)(C)C)c1- InChIKey
KEUANYXDVWBCRM-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Names & identifiers
- Preferred name
- 5-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol
- IUPAC
- 5-methyl-3-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
- English name
- 5-methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatechol
- Molecular formula
- C15H24O2
- Molecular weight
- 236.34986
Names & synonyms
2213-68-55-Methyl-3-(1,1,3,3-tetramethylbutyl)pyrocatecholN25Q2VRG6U1,2-benzenediol, 5-methyl-3-(1,1,3,3-tetramethylbutyl)-EINECS 218-671-5NSC-163491DTXSID40176657NSC 1634915-methyl-3-(1,1,3,3-tetramethylbutyl)-1,2-benzenediolPYROCATECHOL, 5-METHYL-3-(1,1,3,3-TETRAMETHYLBUTYL)-RefChem:103138DTXCID6099148
Show more names
5-METHYL-3-TERT.-OCTYLCATECHOL
218-671-55-methyl-3-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diolNSC163491UNII-N25Q2VRG6USCHEMBL3460326KEUANYXDVWBCRM-UHFFFAOYSA-NAKOS024332289NS00027073
Database identifiers
- CAS
2213-68-5- PubChem CID
- 75175
- DTXSID
DTXSID40176657- UNII
- N25Q2VRG6U
- EC Number
- 218-671-5
- Nikkaji
- J299.169A
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
Physicochemical properties
- FDA UNII
- 25 Q2VRG6U · N25Q2VRG6U
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H413-H318-H335
- 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, P273, 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 38 reports by companies from 1 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
- H315-H413-H318-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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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