Basic information
- CAS
4899-74-5- Standard SMILES
COc1cc(CC(=O)CO)ccc1O- InChIKey
CSQGINGXEBQJPA-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 2-Propanone, 1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-
- IUPAC
- 1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-one
- English name
- 1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-propanone
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
4899-74-52-Propanone, 1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-DTXSID60342993RefChem:89183DTXCID50294073CSQGINGXEBQJPA-UHFFFAOYSA-N1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-one1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-propanoneSCHEMBL11115600EAA89974AKOS028111538EN300-312562
Show more names
hydroxy-3-(4-hydroxy-3-Methoxyphenyl)-2-propanone
1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)acetone #3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanoneZ1513806392
Database identifiers
- CAS
4899-74-5- PubChem CID
- 586459
- DTXSID
DTXSID60342993- EC Number
- 838-073-3
- Nikkaji
- J102.205I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 366.2 · 366.2±32.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- pka
- 9.84 · 9.84±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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