3-Hydroxy-4-methoxybenzyl alcohol
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Basic information
- CAS
4383-06-6- Standard SMILES
COc1ccc(CO)cc1O- InChIKey
WHKRHBLAJFYZKF-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- 3-Hydroxy-4-methoxybenzyl alcohol
- IUPAC
- 5-(hydroxymethyl)-2-methoxyphenol
- English name
- 3-Hydroxy-4-methoxybenzyl alcohol
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
3-Hydroxy-4-methoxybenzyl alcohol5-(Hydroxymethyl)-2-methoxyphenolBenzenemethanol, 3-hydroxy-4-methoxy-EINECS 224-489-7DTXSID40195949NSC 93802RefChem:502432DTXCID30118440224-489-74383-06-6Isovanillyl alcohol3-Hydroxy-4-methoxybenzylalcohol
Show more names
RARECHEM AL BD 00683-Hydroxy-4-methoxybIsovanillylAlcohol>2-methoxy-5-methylol-phenol2-methyl-1-phenylprop-2-en-1-ol2-Methoxy-5-(hydroxymethyl)phenol
MFCD000046445-hydroxymethyl-2-methoxyphenol4-Methoxy-3-hydroxy benzyl alcoholCS-M0791NSC-93802AKOS000249585FS-31733-Hydroxy-4-methoxybenzyl alcohol, 98%
Database identifiers
- CAS
4383-06-6- PubChem CID
- 78089
- DTXSID
DTXSID40195949- ChEMBL
CHEMBL1738713- UNII
- FSA5FY5PE7
- EC Number
- 224-489-7
- Nikkaji
- J80.813J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 135 · 135-137 °C (lit.)
- Boiling point
- 315.8 · 315.8±27.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 9.75 · 9.75±0.10(Predicted)
- color
- White to Almost white
- BRN
- 1867860 · 1867860
- InChI
- 1S/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3
- InChIKey
- WHKRHBLAJFYZKF-UHFFFAOYSA-N
- SMILES
- COc1ccc(CO)cc1O
- CAS DataBase Reference
- 4383 · 4383-06-6(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-Hydroxy-4-methoxybenzyl alcohol(4383-06-6)
- UNSPSC Code
- 12352100 · 12352100
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)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationBenzenemethanol, 3-hydroxy-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
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
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-Hydroxy-4-methoxybenzyl alcohol was used in preparation of 2-hydroxymethyl-5-methoxy-2,5-cyclohexadiene-1,4-dione by oxidation with Fremy′s salt.
Related reactions
18 records
Compound notes
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