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CITRININ Structure

CITRININ

Chemical Properties

Melting point 175°C (dec.)
alpha  D18 -37.4° (c = 1.15 in alc.)
Boiling point 313.38°C (rough estimate)
Density  1.37
refractive index  1.4560 (estimate)
Flash point 2℃
storage temp.  2-8°C
solubility  ≤2mg/ml in ethanol;20mg/ml in DMSO;20mg/ml in dimethyl formamide
form  Crystalline Powder or Flakes
pka 1.52±0.60(Predicted)
color  Yellow
biological source rabbit
Merck  13,2351
BRN  5282243
Stability Hygroscopic
Major Application cleaning products
cosmetics
food and beverages
personal care
InChI 1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
InChIKey CQIUKKVOEOPUDV-IYSWYEEDSA-N
SMILES C[C@H]1OC=C2C(O)=C(C(O)=O)C(=O)C(C)=C2[C@@H]1C
CAS DataBase Reference 518-75-2(CAS DataBase Reference)
IARC 3 (Vol. 40, Sup 7) 1987
EPA Substance Registry System Citrinin (518-75-2)

Safety Information

Hazard Codes  T
Risk Statements  23/24/25-40-36/37/38
Safety Statements  26-36/37/39-45-22-7/9
RIDADR  UN 3462 6.1/PG 3
WGK Germany  3
RTECS  DJ2275000
HazardClass  6.1(a)
PackingGroup  II
HS Code  29419090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Hazardous Substances Data 518-75-2(Hazardous Substances Data)
Toxicity LD50 in mice, rats (mg/kg): 35, 67 i.p. (Ambrose, De Eds)

MSDS

Usage And Synthesis

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