2-Methyl-4-tert-octylphenol
Basic information
- CAS
2219-84-3- Standard SMILES
Cc1cc(C(C)(C)CC(C)(C)C)ccc1O- InChIKey
DYKCNMUCTREDMF-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 2-Methyl-4-tert-octylphenol
- IUPAC
- 2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenol
- English name
- 2-METHYL-4-TERT-OCTYLPHENOL
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
2-Methyl-4-tert-octylphenol4-tert-Octyl-o-cresolPhenol, 2-methyl-4-(1,1,3,3-tetramethylbutyl)-4-tert-Octyl-o-cresol (kent to verify)4-(1,1,3,3-Tetramethylbutyl)-o-cresolo-Cresol, 4-(1,1,3,3-tetramethylbutyl)-2X7WG8GU66EINECS 218-735-22-Methyl-4-(1,1,3,3-tetramethylbutyl)phenolNSC 66444NSC-66444UNII-2X7WG8GU66
Show more names
4-Octyl-o-cresol2-methyl-4-t-octylphenol2-Methyl-4-tert-octylphenol in isooctane
DTXSID9062273RefChem:88155DTXCID0036639DYKCNMUCTREDMF-UHFFFAOYSA-N2219-84-32-methyl-4-(2,4,4-trimethylpentan-2-yl)phenolMFCD000200482-Methyl-4-tert-octylphenol (>90%)
Database identifiers
- CAS
2219-84-3- PubChem CID
- 75206
- DTXSID
DTXSID9062273- UNII
- 2X7WG8GU66
- EC Number
- 218-735-2
- Nikkaji
- J299.177B
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 304.8 · 304.8±11.0 °C(Predicted)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
- pka
- 10.54 · 10.54±0.20(Predicted)
- FDA UNII
- 2 X7WG8GU66 · 2X7WG8GU66
- EPA Substance Registry System
- 4 · 4-tert-Octyl-o-cresol (kent to verify) (2219-84-3)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H413-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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 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
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H413-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-methyl-4-(1,1,3,3-tetramethylbutyl)-: INACTIVE
Applications
Uses2-Methyl-4-tert-octylphenol can be used for its antibacterial activity.
Suppliers
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Related reactions
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Compound notes
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