Basic information
- CAS
104217-01-8- Standard SMILES
CCCOc1ccc(C(=O)O)c(OC)c1- InChIKey
BYPSTFUCGUMFDO-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- 2-Methoxy-4-propoxybenzoic acid
- IUPAC
- 2-methoxy-4-propoxybenzoic acid
- English name
- 2-methoxy-4-propoxybenzoic acid
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
2-methoxy-4-propoxybenzoic acid104217-01-82-methoxy-4-propoxybenzoicacidSCHEMBL89020122-methoxy-4-propoxy-benzoic acidEEA21701Benzoic acid, 2-methoxy-4-propoxy-AKOS009530760EN300-173854Z425439908
Database identifiers
- CAS
104217-01-8- PubChem CID
- 6483403
- EC Number
- 113-386-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 338.7 · 338.7±22.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 4.37 · 4.37±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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