12(S)-HHT Structure

12(S)-HHT

Chemical Properties

Boiling point 451.8±45.0 °C(Predicted)
Density  0.992±0.06 g/cm3(Predicted)
storage temp.  −20°C
solubility  0.1 M Na2CO3: 2 mg/ml; DMF: Miscible; DMSO: Miscible; Ethanol: Miscible; PBS pH 7.2: 0.8 mg/ml
form  ethanol solution
pka 4.75±0.10(Predicted)
color  Colorless to light yellow
biological source synthetic (organic)
InChI 1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1
InChIKey KUKJHGXXZWHSBG-WBGSEQOASA-N
SMILES CCCCC[C@H](O)\C=C\C=C\C\C=C/CCCC(O)=O
UNSPSC Code 12352211
NACRES NA.25

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  F,Xi
Risk Statements  11-36/37/38
Safety Statements  16-26-36
RIDADR  UN 1170 3/PG 2
WGK Germany  3
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
3
0 0

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