591-80-0

Name Allylacetic acid
CAS 591-80-0
EINECS(EC#) 228-028-0
Molecular Formula C5H8O2
MDL Number MFCD00004407
Molecular Weight 100.12
MOL File 591-80-0.mol

Chemical Properties

Appearance clear colorless to light yellow liquid
Melting point  -22.5 °C (lit.)
Boiling point  83-84 °C/12 mmHg (lit.)
density  0.981 g/mL at 25 °C(lit.)
vapor density  >1 (vs air)
FEMA  2843
refractive index  n20/D 1.428(lit.)
Fp  193 °F
storage temp.  2-8°C
solubility  soluble in Chloroform, Methanol
form  Liquid
pka pK1:4.677 (25°C)
color  Clear colorless to light yellow
Specific Gravity 0.981
Odor at 0.10 % in propylene glycol. cheese parmesan romano ricotta
biological source synthetic
explosive limit 1.58%(V)
Odor Type cheesy
Water Solubility  Soluble in alcohol, Slightly soluble in water
JECFA Number 314
BRN  1633696
InChI 1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChIKey HVAMZGADVCBITI-UHFFFAOYSA-N
SMILES OC(=O)CCC=C
LogP 0.99
CAS DataBase Reference 591-80-0(CAS DataBase Reference)
NIST Chemistry Reference 4-Pentenoic acid(591-80-0)
EPA Substance Registry System 591-80-0(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
Signal word  Danger
Hazard statements  H302-H314
Precautionary statements  P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
Hazard Codes  C,T
Risk Statements 
R34:Causes burns.
R22:Harmful if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 3261 8/PG 2
WGK Germany  3
RTECS  SC4751000
F  8-10-23
TSCA  T
HazardClass  8
PackingGroup  III
HS Code  29161980
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Skin Corr. 1B
Toxicity
LD50 oral in rat: 470mg/kg

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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