CAS 122-78-1PubChem CID 998
Phenylacetaldehyde
Phenylacetaldehyde is an aldehyde that consists of acetaldehyde bearing a methyl substituent; the parent member of the phenylacetaldehyde class of compounds. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a member of phenylacetaldehydes and an alpha-CH2-containing aldehyde. — ChEBI
- IUPAC name
- 2-phenylacetaldehyde
- Molecular formula
- C8H8O
- Molecular weight
- 120.15 g/mol
- Exact mass
- 120.057514874 Da
- XLogP3
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Benzeneacetaldehyde2-Phenylethanalalpha-TolualdehydePhenylethanalPhenylacetic aldehydealpha-Toluic aldehydeOxophenylethaneAcetaldehyde, phenyl-
16 more reported names
Benzylcarboxaldehyde1-Oxo-2-phenylethanePhenacetaldehydealpha-PhenylacetaldehydeFEMA No. 2974U8J5PLW9MRNSC-406309CHEBI:16424RefChem:6124204-574-5Hyacinthinphenyl acetaldehydeBenzenacetaldehydephenyl-Acetaldehyde.alpha.-Tolualdehyde.alpha.-Toluic aldehyde
External database identifiers
- ChEBI:CHEBI:16424
- ChEMBL:CHEMBL1233464
- EPA DTXSID:DTXSID3021483
- PubMed:26795242
- PubMed:23019481
- PubMed:22998013
- PubMed:22818888
- PubMed:22711028
- PubMed:22656242
- PubMed:22645543
- PubMed:22639900
- PubMed:22611362
- PubMed:22606270
- PubMed:22606125
- PubMed:22591108
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match998
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 195 °C Source: DrugBank
- Boiling Point: 195 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 1.023-1.045 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- LogP: 1.78 Source: DrugBank
- LogP: 1.78 Source: Human Metabolome Database (HMDB)
- Melting Point: 33.5 °C Source: DrugBank
- Melting Point: 120.5 - 121.5 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Colorless oily liquid that polymerizes and becomes thicker on standing; Odor like lilac and hyacinth; mp = 33-34 deg C; [Merck Index] Colorless to yellow liquid; [Acros Organics MSDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Solid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless to slighty yellow oily liquid; very powerful and penetrating pungent green floral and sweet odour of hyacinth type Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.524-1.545 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Slightly soluble in water; insoluble in water; soluble in oils, propylene glycol Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1 mL in 2 mL 80% ethanol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Vapor Pressure: 0.39 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Carcinogen Classification: Not listed by IARC. Source: Toxin and Toxin Target Database (T3DB)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H317 (96.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (78.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1836 reports by companies from 21 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. Source: European Chemicals Agency (ECHA)
- Sources/Uses: Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Used in perfumery and as an intermediate in organic synthesis; [Merck Index] Used as flavoring agent or adjuvant; [FDA] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation. Source: Toxin and Toxin Target Database (T3DB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.