3,5-Dimethoxybenzyl alcohol
Basic information
- CAS
705-76-0- Standard SMILES
COc1cc(CO)cc(OC)c1- InChIKey
AUDBREYGQOXIFT-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 3,5-Dimethoxybenzyl alcohol
- IUPAC
- (3,5-dimethoxyphenyl)methanol
- English name
- 3,5-Dimethoxybenzyl alcohol
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
3,5-Dimethoxybenzyl alcohol705-76-03,5-DimethoxybenzenemethanolEINECS 211-888-6DTXSID80220769RefChem:486898DTXCID60143260211-888-6(3,5-Dimethoxyphenyl)methanol3,5-DimethoxybenzylalcoholBenzenemethanol, 3,5-dimethoxy-MFCD00004641
Show more names
3,5-DimethoxybenzylRARECHEM AL BD 00653,5-DIMETHOXYBENZYL ALCOHOLE3,5-dimethoxybenzenemethylol3,5-DimethoxybenzylAlcohol>3,5-Dimethoxybenzyl alcohol 99%
3,5-Dimethoxybenzenemethanol;3,5-Dimethoxy Benzyl Alcohol(3,5-dimethoxyphenyl)methan-1-olAS03975Benvitimod Impurity 173,5-dimethoxy-benzylalcohol3,5-Dimethoxy benzylalcoholTEY3289PFV
Database identifiers
- CAS
705-76-0- PubChem CID
- 69718
- DTXSID
DTXSID80220769- UNII
- TEY3289PFV
- EC Number
- 211-888-6
- Nikkaji
- J149.883E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Melting point
- 43 · 43-46 °C(lit.)
- Boiling point
- 183 · 183-186°C 20mm
- Density
- 1.1322 · 1.1322 (rough estimate)
- refractive index
- 1.547 · 1.5470 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.24 · 14.24±0.10(Predicted)
- color
- White to Off-White
- BRN
- 1866305 · 1866305
- InChI
- InChI=1S/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3
- InChIKey
- AUDBREYGQOXIFT-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC(OC)=CC(OC)=C1
- LogP
- 1.102 · 1.102 (est)
- CAS DataBase Reference
- 705 · 705-76-0(CAS DataBase Reference)
- 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-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25-36/37-26
- WGK Germany
- 3 · 3
- HS Code
- 29094990 · 29094990
- Storage Class
- 11 · 11 - Combustible Solids
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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29094990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36/37-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Description3,5-Dimethoxybenzyl alcohol (L1 OH) is an important pharmaceutical intermediate and also the starting material for the family of dendritic polymers LnOH (the integer n indicates the number of ‘branching’ layers). 3,5-Dimethoxybenzyl alcohol can be used as an organic synthesis raw material to prepare compounds such as 3,5-Dimethoxybenzonitrile, 3-hydroxy-5-methoxybenzaldehyde, and 5,7-Dimethoxyindan-1-one.
Uses3,5-Dimethoxybenzyl alcohol was used as starting material for the synthesis of dendrimeric compounds.
Uses3,5-Dimethoxybenzyl Alcohol is used in the synthesis of Resveratrol (R150000).
General Description3,5-Dimethoxybenzyl alcohol is an important pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
40 records
Compound notes
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