149-29-1

Name PATULIN
CAS 149-29-1
EINECS(EC#) 205-735-2
Molecular Formula C7H6O4
MDL Number MFCD00005858
Molecular Weight 154.12
MOL File 149-29-1.mol

Chemical Properties

Appearance white crystals or fine crystalline powder
Melting point  108-111 °C
alpha  D21 -6.2° (chloroform)
Boiling point  197.46°C (rough estimate)
density  1.1993 (rough estimate)
refractive index  1.4300 (estimate)
Fp  2℃
storage temp.  −20°C
solubility  ethyl acetate: soluble50mg/mL
form  Crystals or Crystalline Powder
pka 11.69±0.20(Predicted)
color  White
Merck  13,7125
BRN  149675
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month.
Major Application cleaning products
cosmetics
food and beverages
personal care
InChI 1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
InChIKey ZRWPUFFVAOMMNM-UHFFFAOYSA-N
SMILES OC1OCC=C2OC(=O)C=C12
CAS DataBase Reference 149-29-1(CAS DataBase Reference)
IARC 3 (Vol. 40, Sup 7) 1987
EPA Substance Registry System Patulin (149-29-1)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H300-H315
Precautionary statements  P264-P270-P280-P301+P310-P302+P352-P332+P313
Hazard Codes  T,Xn,C,F
Risk Statements 
R25:Toxic if swallowed.
R38:Irritating to the skin.
R48/20/22:Harmful: danger of serious damage to health by prolonged exposure through inhalation and if swallowed .
R40:Limited evidence of a carcinogenic effect.
R22:Harmful if swallowed.
R34:Causes burns.
R11:Highly Flammable.
Safety Statements 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
RIDADR  UN 3462 6.1/PG 2
WGK Germany  3
RTECS  LV2625000
HazardClass  6.1(a)
PackingGroup  I
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 149-29-1(Hazardous Substances Data)
Toxicity
LD50 s.c. in mice: 10-15 mg/kg (Kinosita, Shikata)

Hazard Information

Well-known Reagent Company Product Information

Supplier