4-Methoxyphenethyl alcohol
Completing data — refresh the page later to see the latest
Basic information
- CAS
702-23-8- Standard SMILES
COc1ccc(CCO)cc1- InChIKey
AUWDOZOUJWEPBA-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Overview
4-methoxybenzeneethanol has been reported in Nymphaea rudgeana, Amorphophallus albispathus, and other organisms with data available.
Names & identifiers
- Preferred name
- 4-Methoxyphenethyl alcohol
- IUPAC
- 2-(4-methoxyphenyl)ethanol
- English name
- 4-Methoxyphenethyl alcohol
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
2-(4-Methoxyphenyl)ethanol4-Methoxyphenethyl alcohol702-23-84-Methoxybenzeneethanolp-Methoxyphenethyl alcoholBenzeneethanol, 4-methoxy-4-methoxyphenethanol2-(p-Methoxyphenyl)ethanol2-(p-Anisyl)ethanolDTXSID50415182-(p-Methoxyphenyl)ethyl alcohol3MWL5NZE9K
Show more names
2-(4-methoxyphenyl)ethan-1-olPMEPAKOS 909874-MethoxyphenethyLTyrosol methyl etherp-Methoxyphenylethanol
EINECS 211-866-61-methoxy-4-(2-hydroxyethyl)benzeneNSC 408325NSC-408325AI3-05522DTXCID3021518METHOXYBENZENEETHANOL, 4-PHENETHYL ALCOHOL, P-METHOXY-
Database identifiers
- CAS
702-23-8- PubChem CID
- 69705
- DTXSID
DTXSID5041518- ChEMBL
CHEMBL412890- UNII
- 3MWL5NZE9K
- EC Number
- 211-866-6
- Nikkaji
- J45.894E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95.7
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 26 · 26-28 °C(lit.)
- Boiling point
- 334 · 334-336 °C(lit.)
- Density
- 1.058 · 1.058±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.536 · 1.536-1.538
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in DMSO, Methanol.
- form
- Liquid After Melting
- pka
- 15 · 15.00±0.16(Predicted)
- color
- Clear light brown
- FreezingPoint
- 23 to · 23.0 to 28.0 ℃
- BRN
- 2043563 · 2043563
- LogP
- 1.393 · 1.393 (est)
- CAS DataBase Reference
- 702 · 702-23-8(CAS DataBase Reference)
- FDA UNII
- 3 MWL5NZE9K · 3MWL5NZE9K
- EPA Substance Registry System
- 4 · 4-Methoxybenzeneethanol (702-23-8)
- 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-P280
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29062990 · 29062990
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzeneethanol, 4-methoxy-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29062990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneethanol, 4-methoxy-: ACTIVE
Applications
Uses2-(4-Methoxyphenyl)ethanol is used as an internal standard in the fluorous biphasic catalysis reaction. It is used in the preparation of 4-(2-iodoethyl)phenol, by refluxing it with 47% hydriodic acid. It may be used in the preparation of (2R*,4R*)-1-n-butyl-2-methyl-4-(2-oxopyrrolidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline and (2R*,4S*)-1-n-butyl-2-methyl-4-(2-oxopyrrolidin-1-yl)-6-methoxy-1,2,3,4- tetrahydroquinoline. It is used for foods, perfumes, and cosmetics.
Uses4-Methoxyphenethyl alcohol was used in the preparation of 4-(2-iodoethyl)phenol, by refluxing it with 47% hydriodic acid. It may be used in the preparation of (2R*,4R*)-1-n-butyl-2-methyl-4-(2-oxopyrrolidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline and (2R*,4S*)-1-n-butyl-2-methyl-4-(2-oxopyrrolidin-1-yl)-6-methoxy-1,2,3,4- tetrahydroquinoline.
Uses4-Methoxyphenethyl alcohol has a flavor and aroma of fresh citrus juice and may be used for perfumes, foods, and cosmetics.
General Description(R)-1-(4-methoxyphenyl)ethanol {(R)-MOPE, 4-Methoxyphenethyl alcohol, 1-(4-methoxyphenyl)ethanol } is formed during the biocatalytic anti-Prelog enantioselective reduction of 4-methoxyacetophenone (MOAP) using immobilized Trigonopsis variabilis AS2.
Upstream & downstream products
Downstream products
Related reactions
55 records
Compound notes
Loading…