Basic information
- CAS
104-10-9- Standard SMILES
Nc1ccc(CCO)cc1- InChIKey
QXHDYMUPPXAMPQ-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 4-Aminophenethyl alcohol
- IUPAC
- 2-(4-aminophenyl)ethanol
- English name
- 2-(4-Aminophenyl)ethanol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
2-(4-Aminophenyl)ethanol104-10-94-Aminophenethyl alcoholp-Aminophenethyl alcohol2-(p-Aminophenyl)ethanolBenzeneethanol, 4-amino-p-Aminophenylethanol4-(2-Hydroxyethyl)anilinep-(2-Hydroxyethyl)anilinePhenethyl alcohol, p-amino-Benzeneethanol, ar-amino-2-(4-Aminophenyl)ethyl Alcohol
Show more names
AKOS BBS-000068932-(4-Aminophenyl)ethP-aminophenylenthanol4-Aminobenzeneethanol4-amino-benzeneethano4-AMINO-BENZENEETHAND4-Aminophenethlalcohol
Benzeneethanol, ar-aminoNSC 409780KVH9V2607FEINECS 203-174-8NSC-409780AI3-18010DTXSID70730662-(4-AMINOPHENYL)-1-ETHANOL
Database identifiers
- CAS
104-10-9、115341-06-5- PubChem CID
- 66904
- DTXSID
DTXSID7073066- UNII
- KVH9V2607F
- EC Number
- 203-174-8
- Nikkaji
- J28.544G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Physicochemical properties
- Melting point
- 107 · 107-110 °C(lit.)
- Boiling point
- 255 °C · 255 °C
- Density
- 1.063 · 1.0630 (rough estimate)
- refractive index
- 1.547 · 1.5470 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Soluble in methanol.
- pka
- 15.05 · 15.05±0.10(Predicted)
- form
- Crystals
- color
- Light brown to brown
- BRN
- 907205 · 907205
- InChI
- InChI=1S/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2
- InChIKey
- QXHDYMUPPXAMPQ-UHFFFAOYSA-N
- SMILES
- C1(CCO)=CC=C(N)C=C1
- CAS DataBase Reference
- 104 · 104-10-9(CAS DataBase Reference)
- FDA UNII
- 9 V2607F · KVH9V2607F
- EPA Substance Registry System
- p-Aminophenylethanol (104-10-9)
- 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
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29221990 · 29221990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 45 reports by companies from 8 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
- F
- 10-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29221990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- hazard_class
- IRRITANT
- 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
Uses & manufacturing
General Manufacturing Information
Benzeneethanol, 4-amino-: ACTIVE
Benzeneethanol, ar-amino-: INACTIVE
Applications
Uses2-(4-Aminophenyl)ethanol is used as nonsymmetric monomer in the preparation of ordered [head-to-head (H-H) or tail-to-tail (T-T)] poly(amide-ester), in the synthesis of 4-aminostyrene and in functionalization of graphene nanoplatelets.
Uses4-Aminophenethyl alcohol has been used:as nonsymmetric monomer in the preparation of ordered [head-to-head (H-H) or tail-to-tail (T-T)] poly(amide-ester)in the synthesis of 4-aminostyrenein functionalization of graphene nanoplatelets
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
259 records
Compound notes
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