93-91-4

Name 1-Phenyl-1,3-butanedione
CAS 93-91-4
EINECS(EC#) 202-286-4
Molecular Formula C10H10O2
MDL Number MFCD00008786
Molecular Weight 162.19
MOL File 93-91-4.mol
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Chemical Properties

Appearance YELLOWISH CRYSTALLINE FLAKES OR CRYST. POWDER
Melting point  54-56 °C(lit.)
Boiling point  260-262°C
density  1.09 g/mL at 25 °C(lit.)
refractive index  1.5678 (estimate)
Fp  260-262°C
storage temp.  Store at RT.
solubility  0.38g/l insoluble
form  Crystalline Flakes or Crystalline Powder
pka pK1: 8.23 (25°C)
color  Yellow
Specific Gravity 1.09
Odor at 100.00 %. acetophenone balsam woody dry opoponax vanilla
Odor Type balsamic
Water Solubility  insoluble
BRN  742413
Dielectric constant 3.8（20℃）
InChI 1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey CVBUKMMMRLOKQR-UHFFFAOYSA-N
SMILES CC(=O)CC(=O)c1ccccc1
LogP 2.520 (est)
CAS DataBase Reference 93-91-4(CAS DataBase Reference)
NIST Chemistry Reference 1,3-Butanedione, 1-phenyl-(93-91-4)
EPA Substance Registry System 93-91-4(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  EK3540200
TSCA  Yes
HS Code  29143900
Storage Class 11 - Combustible Solids
Toxicity
LD orl-rat: >500 mg/kg NCNSA6 5,28,53

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