Basic information
- CAS
59647-78-8- Standard SMILES
CC(C=NO)c1ccccc1- InChIKey
SETWHVMVMWYJQA-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- N-(2-phenylpropylidene)hydroxylamine
- IUPAC
- N-(2-phenylpropylidene)hydroxylamine
- English name
- 2-phenylpropionaldehyde oxime
- Molecular formula
- C9H11NO
- Molecular weight
- 149.18974
Names & synonyms
phenylpropionaldoximeN-(2-phenylpropylidene)hydroxylamine1-phenylethyl nitroneorb1986754SCHEMBL2912526DTXSID00975042SETWHVMVMWYJQA-UHFFFAOYSA-NDB-314308Ai3-13013Einecs 261-839-82-Phenyl-1-propanone oxime2-phenylpropionaldehyde oxime
Show more names
2-METHYL-2-PHENYLACETALDEHYDE OXIMEBenzeneacetaldehyde, α-methyl-, oximeBenzeneacetaldehyde, alpha-methyl-, oxime
Database identifiers
- CAS
59647-78-8- PubChem CID
- 98005
- DTXSID
DTXSID00975042
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 96 · 96-98 °C
- Boiling point
- 83 · 83-84 °C(Press: 1-2 Torr)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- pka
- 10.94 · 10.94±0.40(Predicted)
- LogP
- 2.48 · 2.480 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
DescriptionAI313013, also known as 2-Phenylpropionaldehyde oxime is a food grade flavor ingredient.
Suppliers4 total
北京百奥创新科技有限公司15522676233 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…