2-Amino-4-tert-amylphenol
Basic information
- CAS
91339-74-1- Standard SMILES
CCC(C)(C)c1ccc(O)c(N)c1- InChIKey
APOFDNKYFPDSLE-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101416
Names & identifiers
- Preferred name
- 2-Amino-4-tert-amylphenol
- IUPAC
- 2-amino-4-(2-methylbutan-2-yl)phenol
- English name
- 2-Amino-4-tert-amylphenol
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
91339-74-12-Amino-4-tert-amylphenolDTXSID10317434RefChem:255611DTXCID50268557623-320-8InChI=1/C11H17NO/c1-4-11(2,3)8-5-6-10(13)9(12)7-8/h5-7,13H,4,12H2,1-3H2-amino-4-(tert-pentyl)phenol2-amino-4-(2-methylbutan-2-yl)phenol2-Amino-4-tert-pentylphenolMFCD00025183NSC315545
Show more names
2-Amino-4-(tert-phenyl)phenol
2-amino-4-(1,1-dimethylpropyl)phenolPhenol,2-amino-4-(1,1-dimethylpropyl)-KUC106687NAKOS009157957NSC-315545CS-03650392-amino-4-tert-amyl-phenol2-amino-4-t-amylphenol
Database identifiers
- CAS
91339-74-1- PubChem CID
- 330042
- DTXSID
DTXSID10317434- EC Number
- 623-320-8
- Nikkaji
- J1.950.286D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 119 · 119-120 °C (lit.)
- Boiling point
- 291.3 · 291.3±33.0 °C(Predicted)
- Density
- 1.034 · 1.034±0.06 g/cm3(Predicted)
- pka
- 10.08 · 10.08±0.31(Predicted)
- InChI
- 1S/C11H17NO/c1-4-11(2,3)8-5-6-10(13)9(12)7-8/h5-7,13H,4,12H2,1-3H3
- InChIKey
- APOFDNKYFPDSLE-UHFFFAOYSA-N
- SMILES
- CCC(C)(C)c1ccc(O)c(N)c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-4-tert-amylphenol was used in the synthesis of N1-(2-hydroxy-5-tert-amylphenyl)-1,4,5,8-naphthalenetetracarboxylic-1,8-anhydride-4,5-imide.
Related reactions
5 records
Compound notes
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