Basic information
- CAS
2905-82-0- Standard SMILES
COC(=O)c1cc(OC)ccc1O- InChIKey
DFNBGZODMHWKKK-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- Methyl 2-hydroxy-5-methoxybenzoate
- IUPAC
- methyl 2-hydroxy-5-methoxybenzoate
- English name
- METHYL 5-METHOXYSALICYLATE
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
Methyl 2-hydroxy-5-methoxybenzoate2905-82-0DTXSID00399022RefChem:814466DTXCID60349881628-236-5Methyl 5-methoxysalicylateBenzoic acid, 2-hydroxy-5-methoxy-, methyl esterMFCD000171855-Methoxysalicylic Acid Methyl Ester2-Hydroxy-5-methoxybenzoic Acid Methyl Ester2-hydroxy-5-methoxy-benzoic acid methyl ester
Show more names
RARECHEM AL BF 0042Methyl5-Methoxysalicylate>Methyl 5-Methoxy Salicylicate5-Methoxysalicylic Acid Methyl Ester Methyl 2-Hydroxy-5-methoxybenzoate 2-Hydroxy-5-methoxybenzoic Acid Methyl Ester
SCHEMBL643758CHEMBL2252247SCHEMBL29709382Methyl 5-methoxysalicylate, 98%ALBB-030153methyl 2-hydroxy-5-methoxy-benzoateAKOS008909270CS-W002115
Database identifiers
- CAS
2905-82-0- PubChem CID
- 4072341
- DTXSID
DTXSID00399022- ChEMBL
CHEMBL2252247- EC Number
- 628-236-5
- Nikkaji
- J794.349K
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
Experimental & physicochemical properties
Kovats Retention Index
1400
1448.2
Physicochemical properties
- Boiling point
- 235 · 235-240 °C (lit.)
- Density
- 1.223 g/mL · 1.223 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.544(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 10.24 · 10.24±0.18(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
- λmax
- 334 nm · 334nm(CH3CN)(lit.)
- InChI
- 1S/C9H10O4/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5,10H,1-2H3
- InChIKey
- DFNBGZODMHWKKK-UHFFFAOYSA-N
- SMILES
- COC(=O)c1cc(OC)ccc1O
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2918999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers91 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
17 records
Compound notes
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