78342-42-4

Name (2S)-(+)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
CAS 78342-42-4
Molecular Formula C9H16N2O2
MDL Number MFCD00066229
Molecular Weight 184.24
MOL File 78342-42-4.mol
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Chemical Properties

Appearance Clear colorless to pale yellow liquid
alpha  102 º (c=1%, EtOH)
Boiling point  245.2±33.0 °C(Predicted)
density  1.028 g/mL at 20 °C(lit.)
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly), Ethanol (Sparingly), Methanol (Slightly)
form  Liquid
pka 3.81±0.60(Predicted)
color  Clear colorless to pale yellow
Optical Rotation [α]20/D +102.0±5°, c = 1% in ethanol
BRN  3650245
InChI InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1
InChIKey FCFWEOGTZZPCTO-QMMMGPOBSA-N
SMILES [C@@H]1(C(C)C)N=C(OC)CN=C1OC
CAS DataBase Reference 78342-42-4(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
HS Code  29335995
Storage Class 12 - Non Combustible Liquids

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