Basic information
- CAS
90-53-9- Standard SMILES
COc1cccc(CC(=O)O)c1OC- InChIKey
UZULEJNWMHZSGY-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 2,3-Dimethoxyphenylacetic acid
- IUPAC
- 2-(2,3-dimethoxyphenyl)acetic acid
- English name
- 2,3-Dimethoxyphenylacetic acid
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
2,3-Dimethoxyphenylacetic acid90-53-9o-Homoveratric acidBenzeneacetic acid, 2,3-dimethoxy-Acetic acid, (2,3-dimethoxyphenyl)-DTXSID90237984NSC 12232RefChem:81806DTXCID40160475UZULEJNWMHZSGY-UHFFFAOYSA-N2-(2,3-dimethoxyphenyl)acetic acid(2,3-dimethoxyphenyl)acetic acid
Show more names
RARECHEM AL BO 03332,3-DiMethoxybenzeneacetic Acid2-(2,3-dimethoxyphenyl)ethanoic acid
MFCD000603512,3-Dimethoxy-benzeneacetic acid2,3-Dimethoxy phenyl acetic acidSCHEMBL991380SCHEMBL6964064Benzeneacetic acid,3-dimethoxy-2,3-dimethoxyphenyl acetic acidSCHEMBL29639215
Database identifiers
- CAS
90-53-9- PubChem CID
- 135964
- DTXSID
DTXSID90237984- EC Number
- 674-269-3
- Nikkaji
- J990.431J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 82 · 82-84°C
- Boiling point
- 235 · 235-240 C
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.03 · 4.03±0.10(Predicted)
- Appearance
- White to light yellow Solid
- CAS DataBase Reference
- 90 · 90-53-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-36-22
- Safety Statements
- 26 · 26-36/37/39-36/37
- HazardClass
- IRRITANT
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 2 reports by companies from 2 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
- hs_code
- 2918999090
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36/37
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Useso-Homoveratric Acid is a metabolite of hydroxylated phenylalkylamines.
Suppliers54 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
Related reactions
5 records
Compound notes
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