204254-96-6

Name (1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
CAS 204254-96-6
EINECS(EC#) 1308068-626-2
Molecular Formula C14H22O4
MDL Number MFCD08063944
Molecular Weight 254.32
MOL File 204254-96-6.mol
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Chemical Properties

Melting point  56-57°C
Boiling point  336.5±42.0 °C(Predicted)
density  1.08±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
Optical Rotation Consistent with structure
InChI InChI=1S/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13-/m1/s1
InChIKey XZXCGRFGEVXWIT-FRRDWIJNSA-N
SMILES [C@]12([H])[C@]([H])(O1)[C@H](OC(CC)CC)C=C(C(OCC)=O)C2
CAS DataBase Reference 204254-96-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H227-H315-H319-H335
Precautionary statements  P210-P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
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