Methyl 3-methoxysalicylate
Basic information
- CAS
6342-70-7- Standard SMILES
COC(=O)c1cccc(OC)c1O- InChIKey
BWRCJLJJIXYLNV-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- Methyl 3-methoxysalicylate
- IUPAC
- methyl 2-hydroxy-3-methoxybenzoate
- English name
- Methyl 3-methoxysalicylate
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
Methyl 3-methoxysalicylateMethyl 2-hydroxy-3-methoxybenzoate6342-70-7EINECS 228-737-5DTXSID30212836NSC 46637RefChem:815553DTXCID60135327228-737-5InChI=1/C9H10O4/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5,10H,1-2H2-Hydroxy-3-methoxybenzoic Acid Methyl EsterMFCD00239511
Show more names
AKOS 214-56RARECHEM AL BF 0033Methyl 2-Hydroxy-m-anisateMethyl3-Methoxysalicylate>METHYL 2-HYDROXY-3-METHOXY-BENZOATE
Benzoic acid, 2-hydroxy-3-methoxy-, methyl esterP453VWE7LY3-Methoxysalicylic Acid Methyl EsterNSC-466372-Hydroxy-m-anisic Acid Methyl EsterAC-2649SY002388M2167
Database identifiers
- CAS
6342-70-7- PubChem CID
- 80651
- DTXSID
DTXSID30212836- ChEMBL
CHEMBL2252246- UNII
- P453VWE7LY
- EC Number
- 228-737-5
- Nikkaji
- J206.946F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 65 · 65-68 °C (lit.)
- Boiling point
- 105 °C · 105 °C(Press: 2 Torr)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 9.76 · 9.76±0.10(Predicted)
- color
- White to Gray to Red
- λmax
- 320 nm · 320nm(Dioxane)(lit.)
- InChI
- InChI=1S/C9H10O4/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5,10H,1-2H3
- InChIKey
- BWRCJLJJIXYLNV-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=CC(OC)=C1O
- CAS DataBase Reference
- 6342 · 6342-70-7(CAS DataBase Reference)
- FDA UNII
- 453 VWE7LY · P453VWE7LY
- UNSPSC Code
- 12352100 · 12352100
- NACRES
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 41 reports by companies from 4 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
- hs_code
- 29189900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
14 records
Compound notes
Loading…