122-78-1
Product Name:
Phenylacetaldehyde
Formula:
C8H8O
Synonyms:
α-Tolyaldehyde;2-Phenylacetaldehyde
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| 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] |
|---|---|
| Boiling Point | 195 °C |
| Melting Point | 33.5 °C |
| Solubility | Slightly soluble in water; insoluble in water; soluble in oils, propylene glycol |
| Density | 1.023-1.045 |
| Vapor Pressure | 0.39 [mmHg] |
| LogP | 1.78 |
| Refractive Index | 1.524-1.545 |
| Kovats Retention Index | 1048 1012 1012 1011 1018 1009 1009 1009 1009 998 1005 1003 1008 1011 1012 1013 1004 1020 1024 1047 1019 1010 1036 1003 1003 1003 1017 1007 1011 1014 1015 1014.1 1007 1008 1008 1002 1002 1019 1023 1022 1028 1022 1024 1002 1018 1014 1005 1045 1014 1002 1002 1049 1054 1004 1008 1009 1007 1002 1002 1007 1011 1039 1013 1013 1007 1007 1007 1010.3 1024 1011 1004 1018 1007 1015 1013 1029 1018 1017 1035 1007 1021 1043 1025 1002 1023 1002 1006 1002 1004 1006 1011 1012 1012 1017 1017 1006 1012 1009 1012 1018 1006 1006 1006 1006 1006 1060 1061 1013 1013 1006 1007 1006 1007 1010 1013 1024 1004 1047 1004 1005 1019 1005 1033.9 1019.7 |
| Chemical Classes | Other Classes -> Aldehydes |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H314:Skin corrosion/irritation H317:Sensitisation, Skin H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 120.15 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 120.057514874 g/mol |
| Monoisotopic Mass | 120.057514874 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 82.6 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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 human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is an alpha-CH2-containing aldehyde and a member of phenylacetaldehydes.