107-93-7

Name Crotonic acid
CAS 107-93-7
EINECS(EC#) 203-533-9
Molecular Formula C4H6O2
MDL Number MFCD00002701
Molecular Weight 86.09
MOL File 107-93-7.mol
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Chemical Properties

Appearance White to light yellow crystalline flakes
Melting point  70-72 °C (lit.)
Boiling point  180-181 °C (lit.)
bulk density 543kg/m3
density  1.027 g/mL at 25 °C(lit.)
vapor density  2.97 (vs air)
vapor pressure  0.19 mm Hg ( 20 °C)
FEMA  3908 | (E)-2-BUTENOIC ACID
refractive index  1.4228
Fp  190 °F
storage temp.  Store below +30°C.
solubility  H2O: soluble
form  Crystalline Flakes
pka 4.69(at 25℃)
color  White to light yellow
Odor at 1.00 %. milky
PH 3 (10g/l, H2O, 20℃)
explosive limit 15.1%, 171°F
Odor Type milky
Water Solubility  94 g/L (25 ºC)
JECFA Number 1371
Merck  14,2597
BRN  1719943
Henry's Law Constant 4.1×101 mol/(m3Pa) at 25℃, HSDB (2015)
InChI 1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChIKey LDHQCZJRKDOVOX-NSCUHMNNSA-N
SMILES [H]\C(C)=C(\[H])C(O)=O
LogP 0.85 at 25℃
CAS DataBase Reference 107-93-7(CAS DataBase Reference)
NIST Chemistry Reference Crotonic acid(107-93-7)
EPA Substance Registry System 107-93-7(EPA Substance)
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Safety Data

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H318
Precautionary statements  P280-P305+P351+P338
Hazard Codes  C,N,Xi
Risk Statements 
R21/22:Harmful in contact with skin and if swallowed .
R34:Causes burns.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
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) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37/39:Wear suitable gloves and eye/face protection .
RIDADR  UN 2823 8/PG 3
WGK Germany  3
RTECS  GQ2900000
Autoignition Temperature 744 °F
REACH Registrations Active
HazardClass  8
PackingGroup  III
HS Code  29161940
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Eye Dam. 1
Toxicity
LD50 orally in rats: 1.0 g/kg (Smyth, Carpenter)

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