Basic information
- CAS
1074-12-0- Standard SMILES
O=CC(=O)c1ccccc1- InChIKey
OJUGVDODNPJEEC-UHFFFAOYSA-N- Molecular formula
- C8H6O2
- Average molar mass
- 134.13 g/mol
- Monoisotopic mass
- 134.03677943
Names & identifiers
- Preferred name
- Phenylglyoxal
- IUPAC
- 2-oxo-2-phenylacetaldehyde
- English name
- Phenylglyoxal
- Molecular formula
- C8H6O2
- Molecular weight
- 134.13
Names & synonyms
Show more names
Database identifiers
- CAS
1074-12-0- PubChem CID
- 14090
- DTXSID
DTXSID8025888- ChEMBL
CHEMBL233632- ChEBI
CHEBI:88868- UNII
- N45G3015PA
- EC Number
- 214-036-1
- Nikkaji
- J95.649J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 76 °C · ~76 °C
- Boiling point
- 142 °C/125mmHg · 142°C/125mmHg
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- BRN
- 1854721 · 1854721
- InChI
- InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
- InChIKey
- OJUGVDODNPJEEC-UHFFFAOYSA-N
- SMILES
- C1(=CC=CC=C1)C(=O)C=O
- CAS DataBase Reference
- 1074 · 1074-12-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 45 G3015PA · N45G3015PA
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38-41
- Safety Statements
- 22 · 22-26-36-39
- WGK Germany
- 3 · 3
- RTECS
- 3260000 · MD3260000
- HS Code
- 29122900 · 29122900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 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.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- MD3260000
- hs_code
- 29122900
- risk_code
- 22-36/37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-26-36-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Upstream & downstream products
Downstream products
Suppliers82 total
Additional notes
DefinitionChEBI: Phenylglyoxal is a member of phenylacetaldehydes.
Related reactions
Compound notes
Loading…