Basic information
- CAS
5653-46-3- Standard SMILES
COc1ccc(C(=O)O)c(O)c1OC- InChIKey
CJFQIVAOBBTJCI-UHFFFAOYSA-N- Molecular formula
- C9H10O5
- Average molar mass
- 198.17 g/mol
- Monoisotopic mass
- 198.05282342
Overview
2-HYDROXY-3,4-DIMETHOXYBENZOIC ACID is a methoxybenzoic acid.
Names & identifiers
- Preferred name
- 2-Hydroxy-3,4-dimethoxybenzoic acid
- IUPAC
- 2-hydroxy-3,4-dimethoxybenzoic acid
- English name
- 2-Hydroxy-3,4-dimethoxybenzoic acid
- Molecular formula
- C9H10O5
- Molecular weight
- 198.17
Names & synonyms
2-Hydroxy-3,4-dimethoxybenzoic acid5653-46-33,4-Dimethoxysalicylic acidNSC-374144GXH7ZBU3CDTXSID50205088RefChem:1063335DTXCID50127579227-096-9Benzoic acid, 2-hydroxy-3,4-dimethoxy-MFCD00016498VERATRIC ACID, 2-HYDROXY-
Show more names
NSC 37414AKOS 244-332-Hydroxy-3,4-dimethoxybenzoic3,4-DIMETHOXYSALICYLIC ACID 97%HYDROXY-3,4-DIMETHOXYBENZOIC ACID, 2-2-HYDROXY-3,4-DIMETHOXYBENZOICCID 97%
3,4-dimethoxy-2-hydroxybenzoic acid2-Hydroxy-3,4-dimethoxybenzoicacidEINECS 227-096-9Spectrum_001290Spectrum2_001921Spectrum3_001124Spectrum4_001968Spectrum5_000841
Database identifiers
- CAS
5653-46-3- PubChem CID
- 79737
- DTXSID
DTXSID50205088- ChEMBL
CHEMBL1487905- ChEBI
CHEBI:184501
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 170 · 170-172℃
- Boiling point
- 334 ℃ · 334℃
- Density
- 1.335 · 1.335
- Flash point
- 134 ℃ · 134℃
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Solid
- color
- White to off-white
- LogP
- 2.07 · 2.070 (est)
- FDA UNII
- 4 GXH7ZBU3C · 4GXH7ZBU3C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses2-Hydroxy-3,4-dimethoxybenzoic acid (3,4-Dimethoxysalicylic acid) is an olefinic benzene derivative[1].
Upstream & downstream products
Upstream raw materials
Suppliers44 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
安徽合诺生物科技有限公司0555-2761852
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
Related reactions
2 records
Compound notes
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