Basic information
- Standard SMILES
COc1ccc(C=O)c(O)c1- InChIKey
WZUODJNEIXSNEU-UHFFFAOYSA-N- Molecular formula
- C8H8O3
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.04734412
Overview
2-Hydroxy-4-methoxybenzaldehyde is a member of phenols and a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 2-Hydroxy-4-Methoxybenzaldehyde
- IUPAC
- 2-hydroxy-4-methoxybenzaldehyde
- English name
- 2-Hydroxy-4-methoxybenzaldehyde
- Molecular formula
- C8H8O3
- Molecular weight
- 152.15
Names & synonyms
2-Hydroxy-4-methoxybenzaldehyde673-22-34-MethoxysalicylaldehydeBenzaldehyde, 2-hydroxy-4-methoxy-o-Hydroxy-p-methoxybenzaldehydep-Anisaldehyde, 2-hydroxy-2-Hydroxy-p-anisaldehyde2-Formyl-5-methoxyphenol2N395P88LWDTXSID1060970NSC-155334FEMA NO. 4435
Show more names
4-MthoxysalicylaldehydeAKOS 222-392-Hydroxy-4-methoxyb2-Hydroxyanisaldehyde2-hydroxy-p-anisaldehyd4-MethoxySalicyladehyde
RefChem:87419DTXCID9044873211-604-02-Hydroxy-4-methoxy-benzaldehyde4-MethoxysalicyaldehydeSalicylaldehyde, 4-methoxy-MFCD00003327Entacapone Impurity 65
Database identifiers
- CAS
673-22-3- PubChem CID
- 69600
- DTXSID
DTXSID1060970- ChEMBL
CHEMBL350966- ChEBI
CHEBI:183274- UNII
- 2N395P88LW
- EC Number
- 211-604-0
- Nikkaji
- J155.609F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Food
Density1.231
Solubility
Slightly soluble
Soluble (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point271-274 °CC
Physical DescriptionWhite or yellow to beige crystal
Physicochemical properties
- Melting point
- 41 · 41-43 °C (lit.)
- Boiling point
- 124 °C · 124 °C / 12mmHg
- Density
- 1.2143 · 1.2143 (rough estimate)
- refractive index
- 1.4447 · 1.4447 (estimate)
- FEMA
- 4435 · 4435 | 2-HYDROXY-4-METHOXYBENZALDEHYDE
- FLAVIS Number
- 5.229 · 05.229 | 2-hydroxy-4-methoxybenzaldehyde
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml
- form
- Crystalline Powder
- pka
- 7.79 · 7.79±0.10(Predicted)
- color
- Creamy white to beige or light brown
- Odor
- 100 % · at 100.00 %. vanillin like
- Odor Type
- vanilla
- Water Solubility
- Solubility in methanol is almost transparent. Insoluble in water.
- Sensitive
- Air Sensitive
- JECFA Number
- 2277 · 2277
- BRN
- 1072443 · 1072443
- InChI
- 1S/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3
- InChIKey
- WZUODJNEIXSNEU-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(OC)cc1O
- LogP
- 1.79 · 1.79
- CAS DataBase Reference
- 673 · 673-22-3(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2-HYDROXY-4-METHOXYBENZALDEHYDE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 N395P88LW · 2N395P88LW
- NIST Chemistry Reference
- 2 · Benzaldehyde, 2-hydroxy-4-methoxy-(673-22-3)
- EPA Substance Registry System
- 2 · Benzaldehyde, 2-hydroxy-4-methoxy- (673-22-3)
- UNSPSC Code
- 12352114 · 12352114
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- RTECS
- 2810000 · BZ2810000
- F
- 10 · 10
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29124900 · 29124900
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 10.5% (6 of 57) of reports.
Warning
H315 (89.5%): 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 57 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 01-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23928
Hazard Classes and CategoriesSkin Irrit. 2 (89.5%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BZ2810000
- hs_code
- 29124900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzaldehyde, 2-hydroxy-4-methoxy-: ACTIVE
Applications
Uses2-Hydroxy-4-methoxybenzaldehyde was used in the synthesis of Schiff base ligand.
General Description2-Hydroxy-4-methoxybenzaldehyde is the main component of root bark essential oil of Periploca sepium Bunge. It is a potential tyrosinase inhibitor present in African medicinal plants.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Additional notes
DefinitionChEBI: 2-Hydroxy-4-methoxybenzaldehyde is a member of methoxybenzenes and a member of phenols.
Related reactions
100 records
Linked notes
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