Basic information
- CAS
622-62-8- Standard SMILES
CCOc1ccc(O)cc1- InChIKey
LKVFCSWBKOVHAH-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Overview
4-Ethoxyphenol is a member of phenols and an aromatic ether.
Names & identifiers
- Preferred name
- 4-Ethoxyphenol
- IUPAC
- 4-ethoxyphenol
- English name
- 4-Ethoxyphenol
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
4-EthoxyphenolPhenol, 4-ethoxy-P-ETHOXYPHENOLHydroquinone monoethyl etherp-Hydroxyphenetole4-EthyloxyphenolPhenol, p-ethoxy-4-ethoxy-phenol1-Ethoxy-4-hydroxybenzeneEthoxyphenol, p-NSC 9885FEMA No. 3695
Show more names
2OPFEMA 3695AURORA 94934-thoxyphenolEthoxy phenolp-ethoxy-pheno4-Ethoxyphenole
Ether monoethylique de l'hydroquinoneDTXSID3044251p-ethoxy-phenolEINECS 210-748-1BRN 1907114UNII-605352N8AQNSC-9885Ether monoethylique de l'hydroquinone [French]
Database identifiers
- CAS
622-62-8- PubChem CID
- 12150
- DTXSID
DTXSID3044251- ChEMBL
CHEMBL225153- ChEBI
CHEBI:179262- UNII
- 605352N8AQ
- EC Number
- 210-748-1
- Nikkaji
- J45.017K
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 85.3
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance substance (Hydroquinone monoethyl ether) -> IFRA amendment 40
LogP
1.81
1.95
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble to soluble in water; soluble in oils
moderately soluble (in ethanol)
Boiling Point
246.00 to 247.00 °C. @ 760.00 mm Hg
246-247 °C
Melting Point66 - 67 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Solid
White or colourless crystals, sweet herbaceous odour reminiscent of anise and fennel
Physicochemical properties
- Melting point
- 64 · 64-67 °C
- Boiling point
- 131 °C · 131 °C (9 mmHg)
- Density
- 1.0742 · 1.0742 (rough estimate)
- refractive index
- 1.5231 · 1.5231 (estimate)
- FEMA
- 3695 · 3695 | HYDROQUINONE MONOETHYL ETHER
- FLAVIS Number
- 4.037 · 04.037 | 4-Ethoxyphenol
- Flash point
- 121 °C/9mm · 121°C/9mm
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- almost transparency in Methanol
- form
- Crystalline Powder or Chunks
- pka
- 10.44 · 10.44±0.13(Predicted)
- color
- Beige
- Odor
- 10 % · at 10.00 % in dipropylene glycol. mild hawthorn phenolic plastic nutty
- Odor Type
- animal
- Water Solubility
- slightly soluble
- JECFA Number
- 720 · 720
- BRN
- 1907114 · 1907114
- Major Application
- cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care
- InChI
- 1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3
- InChIKey
- LKVFCSWBKOVHAH-UHFFFAOYSA-N
- SMILES
- CCOc1ccc(O)cc1
- LogP
- 1.87 · 1.87
- CAS DataBase Reference
- 622 · 622-62-8(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- HYDROQUINONE MONOETHYL ETHER
- FDA 21 CFR
- 175.105 · 175.105; 176.170; 177.2600
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 605352 N8AQ · 605352N8AQ
- NIST Chemistry Reference
- 4 · 4-Ethoxyphenol(622-62-8)
- EPA Substance Registry System
- 4 · Phenol, 4-ethoxy- (622-62-8)
- UNSPSC Code
- 12352200 · 12352200
- 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
- Hazard Codes
- Xn,Xi
- Risk Statements
- 41 · 41-37/38-22-36/37/38
- Safety Statements
- 37 · 37/39-26-36
- WGK Germany
- 3 · 3
- RTECS
- 3790000 · SL3790000
- TSCA
- TSCA listed
- HS Code
- 29071990 · 29071990
- Storage Class
- 13 · 13 - Non 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 159 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 4-ethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 4-ethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SL3790000
- hs_code
- 29071990
- risk_code
- 41-37/38-22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26-36
- Storage Class
- 13 - Non 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
Pharmacology
Metabolism/Metabolites4-Ethoxyphenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-ethoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Cellular LocationsCytoplasm
Uses & manufacturing
IFRA Fragrance Standards
Hydroquinone monoethyl ether
1-Ethoxy-4-hydroxybenzene; p-Ethoxyphenol; Phenol, 4-ethoxy-; 4-Ethoxyphenol
IFRA_STD_152.pdf
40
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPhenol, 4-ethoxy-: ACTIVE
Applications
UsesIntermediates of Liquid Crystals
Uses4-Ethoxyphenol has been used as substrate to evaluate kinetic constant for the monophenolase activity of mushroom tyrosinase.
General Description4-Ethoxyphenol is the major dehalogenated product formed during H2O2-driven microperoxidase-8-catalyzed dehalogenation of 4-fluorophenol.
Preparation methods
PreparationHydroquinone monoethyl ether is produced by regulated (Mono)-ethylation of Hydroquinone with Diethylsulfate in weak aqueous alkaline solution.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Additional notes
DefinitionChEBI: 4-Ethoxyphenol is a member of phenols and an aromatic ether.
Related reactions
35 records
Compound notes
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