3-Hydroxybenzyl alcohol
Completing data — refresh the page later to see the latest
Basic information
- CAS
620-24-6- Standard SMILES
OCc1cccc(O)c1- InChIKey
OKVJCVWFVRATSG-UHFFFAOYSA-N- Molecular formula
- C7H8O2
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.0524295
Overview
3-hydroxybenzyl alcohol is a hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group. It has a role as a metabolite. It is a hydroxybenzyl alcohol and a member of phenols.
Names & identifiers
- Preferred name
- 3-Hydroxybenzyl alcohol
- IUPAC
- 3-(hydroxymethyl)phenol
- English name
- 3-Hydroxybenzyl alcohol
- Molecular formula
- C7H8O2
- Molecular weight
- 124.14
Names & synonyms
3-hydroxybenzyl alcohol620-24-63-(Hydroxymethyl)phenol3-HydroxybenzenemethanolBenzenemethanol, 3-hydroxy-m-Hydroxybenzyl alcoholBenzyl alcohol, m-hydroxy-H652F6XF7YCHEBI:17069DTXSID20211035NSC-607353-methylol phenol
Show more names
Metaraminol Impurity 3KDS 24053-MethylolphenlRARECHEM AL BD 00673-Hydrosybenzyl Alcohol
meta-hydroxybenzyl alcoholRefChem:502532DTXCID20133526210-633-6KSD 24053-methylolphenolMFCD000046433-Hydroxybenzylalcohol
Database identifiers
- CAS
620-24-6- PubChem CID
- 102
- DTXSID
DTXSID20211035- ChEMBL
CHEMBL3337531- ChEBI
CHEBI:17069- UNII
- H652F6XF7Y
- EC Number
- 210-633-6
- Nikkaji
- J1.672A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Experimental & physicochemical properties
LogP0.5
Physical DescriptionSolid
Collision Cross Section
122.3 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
123 Ų [M-H]-
Physicochemical properties
- Melting point
- 69 · 69-72 °C (lit.)
- Boiling point
- 300 °C · 300°C
- Density
- 1 · 1,16 g/cm3
- refractive index
- 1.5035 · 1.5035 (estimate)
- Flash point
- 300 °C · 300°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 1 · pK1:9.83 (25°C)
- form
- Crystalline Powder
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- DA4796700
- hs_code
- 29072900
- risk_code
- 36/37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-36/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses3-Hydroxybenzyl alcohol is used as an intermediate to produce other chemicals like 3-Oxy-1'-acetoxy-1-methyl-benzol.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: A hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group.
Related reactions
157 records
Compound notes
Loading…