76231-76-0

Name ALPHA+BETA-THUJONE
CAS 76231-76-0
Molecular Formula C10H16O
MDL Number MFCD00135597
Molecular Weight 152.23
MOL File 76231-76-0.mol
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Chemical Properties

Boiling point  84-86 °C/17 mmHg (lit.)
density  0.925 g/mL at 25 °C (lit.)
refractive index  n20/D 1.455(lit.)
Fp  64 °C
storage temp.  2-8°C
solubility  Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly)
form  Oil
color  Colourless
InChI 1S/2C10H16O/c2*1-6(2)10-4-8(10)7(3)9(11)5-10/h2*6-8H,4-5H2,1-3H3/t7-,8+,10-;7-,8-,10+/m01/s1
InChIKey AKPBIVZAUPVDMO-APEKEWONSA-N
SMILES CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2.CC(C)[C@@]34C[C@@H]3[C@H](C)C(=O)C4

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P501
Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  UN 2810 6.1/PG 3
WGK Germany  3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Oral
Hazardous Substances Data 76231-76-0(Hazardous Substances Data)

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