Phenylglyoxal

HCID 14090

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

phenylglyoxal2-oxo-2-phenylacetaldehyde1074-12-0phenylethanedionebenzoylcarboxaldehydeglyoxal, phenyl-alpha-oxobenzeneacetaldehydeDTXSID8025888Benzeneacetaldehyde, alpha-oxo-benzeneacetaldehyde, alpha-oxo-, monohydrateN45G3015PANSC-26909
Show more names
NSC 26909NSC 156299NSC 627436Phenyllyoxalphenyl-glyoxa2-Phenylglyoxal
NSC-156299DTXCID705888RefChem:173067214-036-1benzoylformaldehydeOxo(phenyl)acetaldehydeMFCD00006959Benzeneacetaldehyde, .alpha.-oxo-

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

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Hazard Classes and CategoriesAcute Tox. 4 (95.1%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.6%)

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

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

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)

Suppliers82 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

Additional notes

DefinitionChEBI: Phenylglyoxal is a member of phenylacetaldehydes.

Related reactions

32 records

Compound notes

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