123-76-2

Name Levulinic acid
CAS 123-76-2
EINECS(EC#) 204-649-2
Molecular Formula C5H8O3
MDL Number MFCD00002796
Molecular Weight 116.12
MOL File 123-76-2.mol

Chemical Properties

Appearance clear yellowish liquid after melting
Melting point  30-33 °C (lit.)
Boiling point  245-246 °C (lit.)
density  1.134 g/mL at 25 °C(lit.)
vapor pressure  1 mm Hg ( 102 °C)
FEMA  2627
refractive index  n20/D 1.439(lit.)
Fp  280 °F
storage temp.  Store below +30°C.
solubility  675g/l
form  Liquid After Melting
pka pKa 4.65(H2O,t = 25,c=0.03-0.001) (Uncertain)
color  Clear yellow
Odor at 100.00 %. sweet caramel acidic acetoin buttery
biological source synthetic
Odor Type caramellic
Water Solubility  Soluble in water ( 675g/L at 20°C).
Sensitive  Light Sensitive
JECFA Number 606
Merck  14,5472
BRN  506796
Major Application cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
Cosmetics Ingredients Functions PERFUMING
SKIN CONDITIONING
Cosmetic Ingredient Review (CIR) Levulinic acid (123-76-2)
InChI 1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey JOOXCMJARBKPKM-UHFFFAOYSA-N
SMILES CC(=O)CCC(O)=O
LogP -0.498
Surface tension 42.53mN/m at 298.15K
CAS DataBase Reference 123-76-2(CAS DataBase Reference)
NIST Chemistry Reference Pentanoic acid, 4-oxo-(123-76-2)
EPA Substance Registry System 123-76-2(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
Signal word  Danger
Hazard statements  H302-H317-H318
Precautionary statements  P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xn,C
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  3261
WGK Germany  3
RTECS  OI1575000
TSCA  Yes
REACH Registrations Active
HazardClass  8
PackingGroup  III
HS Code  29183000
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Skin Sens. 1

Hazard Information

Material Safety Data Sheet(MSDS)

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