Basic information
- CAS
33538-83-9- Standard SMILES
COc1ccccc1CCC=O- InChIKey
FIMNMFRUQUMXEV-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 3-(2-Methoxyphenyl)propanal
- IUPAC
- 3-(2-methoxyphenyl)propanal
- English name
- 3-(2-Methoxy-phenyl)-propionaldehyde
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
3-(2-methoxyphenyl)propanalDTXSID90295786RefChem:491162DTXCID80246924973-052-333538-83-93-(2-Methoxy-phenyl)-propionaldehydeBENZENEPROPANAL, 2-METHOXY-MFCD07772908NSC105516CHEMBL79551SCHEMBL834561
Show more names
3-(2-Methoxyphenyl)propana3-(2-Methoxy-phenyl)-propionaldehyde ,98%
SCHEMBL910888SCHEMBL275276913-(2-methoxyphenyl)-1-propanalFIMNMFRUQUMXEV-UHFFFAOYSA-NIBA53883AKOS011897534AB42265DS-6956
Database identifiers
- CAS
33538-83-9- PubChem CID
- 266744
- DTXSID
DTXSID90295786- ChEMBL
CHEMBL79551- EC Number
- 973-052-3
- Nikkaji
- J3.052.984G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 260 °C · 260 °C
- Density
- 1.025 · 1.025±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.；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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers28 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
5 records
Compound notes
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