3-phenylpropanal is a benzene which is substituted by a 3-oxopropyl group at position 1.
Definition
3-phenylpropanal is a benzene which is substituted by a 3-oxopropyl group at position 1. It has a role as a flavouring agent and a plant metabolite. It is an aldehyde and a member of benzenes. It is functionally related to a benzene.
Source: PubChem
US FDA substance register · UNII LP1E86N30T · registered name 3-PHENYLPROPIONALDEHYDE · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 104-53-0
- EC No.EU chemical inventory number
- 203-211-8
- DTXSIDUS EPA chemical ID
- DTXSID0047610
- DTXCIDUS EPA compound ID
- DTXCID8027610
- IUPAC
- 3-Phenylpropanal
- Molecular formula
- C9H10O
- Molecular weight
- 134.178 g/mol
Measured properties
- Appearance
- Colorless or light yellow liquid, [Acros Organics MSDS] · Solid
- Boiling point
- 97.00 to 98.00 °C. @ 12.00 mm Hg · 222 °C
- Melting point
- 47 °C
- Solubility
- insoluble in water, soluble in oils · miscible (in ethanol)
- Density
- 1.008-1.018
- Melting/freezing point
- 47 ℃
- Initial boiling point and range
- 221~226 ℃
- Flash point
- 95 ℃
- Vapour pressure
- 45 ㎜Hg (82 C)
- Vapour density
- 4.63 ()
- Relative density
- 1.010-1.020
- Auto-ignition temperature
- 245 ℃
- Molecular weight
- 134.18
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 13 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Fragrance10
- Flavouring and nutrient2
- No specific technical function1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
1 skin studies and 0 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 1 studies
- SkinSens1
Skin Sensitization · QSAR Predicted
Source: US EPA CompTox dashboard
Related literature
Linked databases 14
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem 2
- PubMed
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · English · Chinese