2-Chloro-4-(2-methylbutan-2-yl)phenol
Basic information
- CAS
5323-65-9- Standard SMILES
CCC(C)(C)c1ccc(O)c(Cl)c1- InChIKey
UKTIQCCWPKUZKD-UHFFFAOYSA-N- Molecular formula
- C11H15ClO
- Average molar mass
- 198.69 g/mol
- Monoisotopic mass
- 198.0811428
Names & identifiers
- Preferred name
- 2-Chloro-4-(2-methylbutan-2-yl)phenol
- IUPAC
- 2-chloro-4-(2-methylbutan-2-yl)phenol
- English name
- 2-Chloro-4-(tert-pentyl)-phenol
- Molecular formula
- C11H15ClO
- Molecular weight
- 198.69
Names & synonyms
2-chloro-4-(2-methylbutan-2-yl)phenolDTXSID60967781RefChem:468842DTXCID301395376622-194-12-Chloro-4-(tert-pentyl)phenol5323-65-9MFCD00019993Chloro-4-tert-amylphenol2-Chloro-4-tert-amylphenolPhenol, 2-chloro-4-tert-pentyl-Phenol, 2-chloro-4-(1,1-dimethylpropyl)-
Show more names
NSC 27954-tert-Amyl-2-chlorophenol2-chloro-4-tertpentylbenzenephenol2-Chloro-4-(1,1-dimethylpropyl)pheno2-chloro-4-(2-methyl but-2-yl)phenol2-Chloro-4-(tert-pentyl)phenol/2-Chloro-4-tert-pentylphenol
2-Chloro-4-tert-pentylphenol2-Chloro-4-(1,1-dimethylpropyl)phenolNSC27954-t-amyl-2-chlorophenolPhenol, chloro-4-(1,1-dimethylpropyl)-2-Chloro-4-tert-pentylphenol #NSC-27954-(1,1-dimethylpropyl)-2-chlorophenol
Database identifiers
- CAS
5323-65-9、73090-69-4- PubChem CID
- 220280
- DTXSID
DTXSID60967781- EC Number
- 622-194-1
- Nikkaji
- J60.922F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 257 ℃ · 257℃
- Density
- 1.085 · 1.085
- Flash point
- 110 ℃ · 110℃
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 8.81 · 8.81±0.31(Predicted)
- color
- Colourless to Pale Yellow
- EPA Substance Registry System
- 2 · 2-Chloro-4-tert-amylphenol (5323-65-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, 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)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
2 records
Compound notes
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