Basic information
- CAS
26591-66-2- Standard SMILES
O=CC(C=O)c1ccccc1- InChIKey
PGTSKBVCLZBQFK-UHFFFAOYSA-N- Molecular formula
- C9H8O2
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.05242949
Overview
2-Phenylmalonaldehyde is a member of phenylacetaldehydes.
Names & identifiers
- Preferred name
- 2-Phenylpropanedial
- IUPAC
- 2-phenylpropanedial
- English name
- 2-PHENYLMALONDIALDEHYDE
- Molecular formula
- C9H8O2
- Molecular weight
- 148.16
Names & synonyms
2-phenylpropanedialRefChem:478218674-193-02-phenylmalonaldehyde26591-66-22-PhenylmalondialdehydePropanedial, 2-phenyl-2-(phenyl)malondialdehydeMFCD03426041phenylmalonaldehydePhenylpropanedialphenyl malonaldehyde
Show more names
Phenylpropane-1,3-dial
2-phenylpropane-1,3-dialSCHEMBL548634SCHEMBL5391094SCHEMBL9795464SCHEMBL11051774DTXSID70394882CHEBI:180552PGTSKBVCLZBQFK-UHFFFAOYSA-N
Database identifiers
- CAS
26591-66-2- PubChem CID
- 3672296
- DTXSID
DTXSID70394882- ChEBI
CHEBI:180552- EC Number
- 674-193-0
- Nikkaji
- J427.476H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 92 · 92-95
- Boiling point
- 228.2 · 228.2±28.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.10(Predicted)
- form
- powder
- color
- Off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2917198090 · 2917198090
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
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- hs_code
- 2917198090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers11 total
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
8 records
Compound notes
Loading…