3-Ethoxyphenol
Basic information
- CAS
621-34-1- Standard SMILES
CCOc1cccc(O)c1- InChIKey
VBIKLMJHBGFTPV-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Names & identifiers
- Preferred name
- 3-Ethoxyphenol
- IUPAC
- 3-ethoxyphenol
- English name
- 3-Ethoxyphenol
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
3-EthoxyphenolPhenol, 3-ethoxy-m-EthoxyphenolPhenol, m-ethoxy-Resorcinol monoethyl etherUNII-IKY4O3474AIKY4O3474ANSC 4875NSC-4875EINECS 210-681-8AI3-00795DTXSID9060734
Show more names
NSC48753-ethoxy-pheno3-Ethoxyphenol>3-Ethoxyphenol,98%
RefChem:93799Phenol, m-ethoxy-(8CI)DTXCID9043229210-681-8InChI=1/C8H10O2/c1-2-10-8-5-3-4-7(9)6-8/h3-6,9H,2H2,1HVBIKLMJHBGFTPV-UHFFFAOYSA-N621-34-13-ethoxy-phenol
Database identifiers
- CAS
621-34-1- PubChem CID
- 69306
- DTXSID
DTXSID9060734- ChEMBL
CHEMBL449241- UNII
- IKY4O3474A
- EC Number
- 210-681-8
- Nikkaji
- J79.756A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.3
Experimental & physicochemical properties
LogP1.98
Physicochemical properties
- Melting point
- 31 °C · 31 °C
- Boiling point
- 247 °C · 247 °C
- Density
- 1.07 · 1.07
- refractive index
- 1.539 · 1.539-1.541
- Flash point
- 93 °C · >93°C
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1 · pK1:9.655 (25°C)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow to Light orange
- Water Solubility
- insoluble
- Dielectric constant
- 11 · 11.0(28℃)
- LogP
- 1.98 · 1.980
- CAS DataBase Reference
- 621 · 621-34-1(CAS DataBase Reference)
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 5 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
- hs_code
- 2909500000
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 3-ethoxy-: INACTIVE
Applications
Uses3-Ethoxyphenol is a useful reactant and reagent for organic synthesis and reactions.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
11 records
Compound notes
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