Basic information
- CAS
178698-88-9- Standard SMILES
CCc1cc(N)ccc1O- InChIKey
ZWKXEALJTBALGD-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 4-Amino-2-ethylphenol
- IUPAC
- 4-amino-2-ethylphenol
- English name
- 4-amino-2-ethylphenol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
4-Amino-2-ethylphenol178698-88-94-Amino-2-ethylphenol Hydrochloride805238-03-34-amino-2-ethyl-phenol4-Amino-2-ethylphenol #SCHEMBL440146SCHEMBL27901938Benzeneamine, 3-ethyl-4-hydroxy-AKOS006342104MB23663A1-66381
Show more names
Phenol, 4-amino-2-ethyl-
Database identifiers
- CAS
178698-88-9- PubChem CID
- 586331
- EC Number
- 115-697-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 287 · 287.0±28.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- pka
- 10.53 · 10.53±0.18(Predicted)
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]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海安娅医药科技有限公司19106202509 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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