2-Hydroxy-1-phenyl-1-propanone

HCID 101121

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Basic information

CAS: 5650-40-8
Standard SMILES: CC(O)C(=O)c1ccccc1
InChIKey: WLVPRARCUSRDNI-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Names & identifiers

Preferred name: 2-Hydroxy-1-phenyl-1-propanone
IUPAC: 2-hydroxy-1-phenylpropan-1-one
English name: 2-hydroxypropiophenone
Molecular formula: C9H10O2
Molecular weight: 150.17

Names & synonyms

2-Hydroxypropiophenone2-hydroxy-1-phenyl-1-propanone5650-40-82-hydroxy-1-phenylpropan-1-onealpha-hydroxypropiophenone1-Propanone, 2-hydroxy-1-phenyl-1-phenyl-2-hydroxy-1-propanoneG5VB9JW33LCHEBI:63553DTXSID80871139RefChem:473494DTXCID70818811

Show more names

NSC 402216LactophenoneBenzoylmethylcarbinol2-Hydroxypropionylbenzene(1-Hydroxyethyl)phenyl ketoneα-Methyl-α-hydroxyacetophenone1-Phenyl-2-hydroxy 1-propanone

227-091-1EINECS 227-091-1AI3-20420alpha-hydroxy-propiophenonePropiophenone, 2-hydroxy-1-Hydroxyethyl phenyl ketoneSCHEMBL27003SCHEMBL96304

Database identifiers

CAS: 5650-40-8
PubChem CID: 101121
DTXSID: DTXSID80871139
ChEBI: CHEBI:63553
UNII: G5VB9JW33L
EC Number: 227-091-1
Nikkaji: J225.071C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 18 · 18-19 °C
Boiling point: 251 °C · 251°C (estimate)
Density: 1.1085 · 1.1085
refractive index: 1.536 · 1.5360 (estimate)
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Sparingly), Methanol (Slightly)
pka: 13.16 · 13.16±0.20(Predicted)
form: Oil
color: Pale Yellow to Yellow
Stability: Hygroscopic
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362