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Substance Name: Phenylacetaldehyde
RN: 122-78-1
UNII: U8J5PLW9MR
InChIKey: DTUQWGWMVIHBKE-UHFFFAOYSA-N
Classification Codes
- Antiviral (COVID-19)
- Natural Product
- Skin / Eye Irritant
Molecular Formula
- C8-H8-O
Molecular Weight
- 120.1502
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Phenylacetaldehyde
Synonyms
- 1-Oxo-2-phenylethane
- 2-Phenylethanal
- Acetaldehyde, phenyl-
- AI3-02175
- alpha-Tolualdehyde
- alpha-Toluic aldehyde
- Benzeneacetaldehyde
- Benzylcarboxaldehyde
- EINECS 204-574-5
- FEMA No. 2974
- Hyacinthin
- NSC 406309
- Oxophenylethane
- Phenylacetaldehyde
- Phenylacetaldehyde (natural)
- Phenylacetic aldehyde
- Phenylethanal
- UNII-U8J5PLW9MR
Systematic Names
- Acetaldehyde, phenyl- (8CI)
- Benzeneacetaldehyde
- Phenylacetaldehyde
Superlist Name
- Phenylacetaldehyde
Registry Numbers
CAS Registry Number
- 122-78-1
FDA UNII
- U8J5PLW9MR
Other Registry Number
- 2170235-75-1
System Generated Number
- 0000122781
Structure Descriptors
InChI
InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2InChIKey
DTUQWGWMVIHBKE-UHFFFAOYSA-NSmiles
O=CCc1ccccc1Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 3890mg/kg (3890mg/kg) | Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. | |
| mouse | LC50 | inhalation | 2gm/m3 (2000mg/m3) | Toksikologicheskii Vestnik. Vol. (2), Pg. 35, 1995. | |
| mouse | LD50 | oral | 3890mg/kg (3890mg/kg) | Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 377, 1979. | |
| rat | LD50 | oral | 1550mg/kg (1550mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 377, 1979. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 33.5 | deg C | EXP | |
| Boiling Point | 195 | deg C | EXP | |
| log P (octanol-water) | 1.78 | (none) | EXP | |
| Water Solubility | 3030 | mg/L | 25 | EST |
| Vapor Pressure | 0.392 | mm Hg | 25 | EXP |
| Henry's Law Constant | 5.48E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.63E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.