Basic information
- CAS
122-94-1- Standard SMILES
CCCCOc1ccc(O)cc1- InChIKey
MBGGFXOXUIDRJD-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 4-Butoxyphenol
- IUPAC
- 4-butoxyphenol
- English name
- 4-Butoxyphenol
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
4-BUTOXYPHENOL122-94-1Phenol, 4-butoxy-p-ButoxyphenolPhenol, p-butoxy-8188DBS68JNSC-60292DTXSID4059548RefChem:98235DTXCID7033735204-583-4Hydroquinone Monobutyl Ether
Show more names
4-N-BUTOXYPHENOLPARA-BUTOXYPHENOL4-butoxy-pheno4-Buthoxy phenol4-BUTYLOXYPHENOL4- isbutylphenol
4-Butoxy-phenolMFCD00002336Hydroquinone Butyl EtherNSC 60292UNII-8188DBS68JEINECS 204-583-4Phenol, 4-?butoxy-4-Butoxyphenol, 98%
Database identifiers
- CAS
122-94-1- PubChem CID
- 31233
- DTXSID
DTXSID4059548- ChEMBL
CHEMBL224262- ChEBI
CHEBI:34392- UNII
- 8188DBS68J
- EC Number
- 204-583-4
- Nikkaji
- J27.317A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Melting point
- 65 · 65-66 °C(lit.)
- Boiling point
- 165 °C · 165 °C / 2mmHg
- Density
- 1.006 · 1.0060 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in acetone and ethanol.
- pka
- 10.33 · 10.33±0.15(Predicted)
- form
- Solid
- color
- Light Brown to Brown
- InChI
- InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
- InChIKey
- MBGGFXOXUIDRJD-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(OCCCC)C=C1
- CAS DataBase Reference
- 122 · 122-94-1(CAS DataBase Reference)
- FDA UNII
- 8188 DBS68J · 8188DBS68J
- NIST Chemistry Reference
- P-butoxyphenol(122-94-1)
- EPA Substance Registry System
- 4 · Phenol, 4-butoxy- (122-94-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
- Hazard Codes
- Xn,Xi,T
- Risk Statements
- 22 · 22-37/38-40-41-43-52/53-42/43-36/37/38-23/24/25-45-R42/43-R36/37/38-R23/24/25-R45
- Safety Statements
- 26 · 26-36/37/39-61-53-45-22-S53-S45-S36/37/39-S26-S22-37/39
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29095000 · 29095000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationChemical: Phenol, 4-butoxy-
Hazard Classes and CategoriesAcute Tox. 4 (90.9%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)
Regulatory information
Regulatory InformationChemical: Phenol, 4-butoxy-
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29095000
- risk_code
- 22-37/38-40-41-43-52/53-42/43-36/37/38-23/24/25-45-R42/43-R36/37/38-R23/24/25-R45
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,T
- safety_code
- 26-36/37/39-61-53-45-22-S53-S45-S36/37/39-S26-S22-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-butoxy-: ACTIVE
Applications
UsesIt is an intermediate of liquid crystals.
UsesIntermediates of Liquid Crystals
UsesPramoxine impurity. Phenol derivatives induced tumor cell apoptosis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
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Additional notes
DefinitionChEBI: 4-Butoxyphenol is an aromatic ether.
Related reactions
12 records
Compound notes
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