4,4'-Dimethoxybenzoin
Basic information
- CAS
119-52-8- Standard SMILES
COc1ccc(C(=O)C(O)c2ccc(OC)cc2)cc1- InChIKey
LRRQSCPPOIUNGX-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Names & identifiers
- Preferred name
- 4,4'-Dimethoxybenzoin
- IUPAC
- 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
- English name
- ANISOIN
- Molecular formula
- C16H16O4
- Molecular weight
- 272.3
Names & synonyms
119-52-8Anisoin4,4'-DimethoxybenzoinEthanone, 2-hydroxy-1,2-bis(4-methoxyphenyl)-NSC-7960NSC-8504KUY567Z2QLDTXSID60883311RefChem:506665DTXCID50893247204-330-82-Hydroxy-1,2-bis(4-methoxyphenyl)ethanone
Show more names
Anisoin,95%Anisoin >4,4'-anisoinTIMTEC-BB SBB006267
p-Anisoinp,p'-DimethoxybenzoinMFCD00008411Benzoin, 4,4'-dimethoxy-2-hydroxy-1,2-bis(4-methoxyphenyl)ethan-1-oneTimTec1_001608Benzoin,4'-dimethoxy-NSC 7960
Database identifiers
- CAS
119-52-8- PubChem CID
- 95415
- DTXSID
DTXSID60883311- ChEMBL
CHEMBL370299- UNII
- KUY567Z2QL
- EC Number
- 204-330-8
- Nikkaji
- J312C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
Physical DescriptionCrystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 108 · 108-111 °C(lit.)
- Boiling point
- 335.35 °C · 335.35°C (rough estimate)
- Density
- 1.1105 · 1.1105 (rough estimate)
- refractive index
- 1.435 · 1.4350 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 12.14 · 12.14±0.20(Predicted)
- form
- Powder
- color
- Pale yellow to beige
- Water Solubility
- Soluble in water, ethanol and acetone.
- BRN
- 3211892 · 3211892
- InChI
- InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3
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: Ethanone, 2-hydroxy-1,2-bis(4-methoxyphenyl)-
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Benzoin.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29145090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 2-hydroxy-1,2-bis(4-methoxyphenyl)-: ACTIVE
Applications
UsesAnisoin is a useful pre-chromatographic derivatization fluorogenic reagent for LC (liquid chromatography) analysis of guanidino compounds. It is widely used as photoinitiators in polymerization reactions. It is widely used in UV curing inks, wood coatings, paper coatings, optical fiber, PCB, screen printing, paper varnish and other surfaces.
Upstream & downstream products
Downstream products
Related reactions
26 records
Compound notes
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