7-Ethoxy-4-methyl-2H-chromen-2-one Structure

7-Ethoxy-4-methyl-2H-chromen-2-one

Chemical Properties

Melting point 114-116 °C (lit.)
Boiling point 351.4±37.0 °C(Predicted)
Density  1.163±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  DMF: soluble
form  Solid
color  White to Off-White
Odor at 100.00 %. nutty walnut
Odor Type nutty
BRN  169998
InChI InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3
InChIKey NKRISXMDKXBVRJ-UHFFFAOYSA-N
SMILES C1(=O)OC2=CC(OCC)=CC=C2C(C)=C1
LogP 2.973 (est)
CAS DataBase Reference 87-05-8(CAS DataBase Reference)
FDA UNII ZLV1S0NNZH
NIST Chemistry Reference 4-Methyl-7-ethoxycoumarin(87-05-8)
EPA Substance Registry System 2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl- (87-05-8)

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302+H312+H332-H319-H335
Precautionary statements P261-P271-P280
Hazard Codes  Xi
Safety Statements  24/25
WGK Germany  3
F  8
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29322090
NFPA 704:
1
2 0

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