| Identification | Back Directory | [Name]
Altholactone | [CAS]
65408-91-5 | [Synonyms]
Altholactone
Goniothalenol
(+)-Goniothalenol
D-xylo-Hept-2-enonic acid, 4,7-anhydro-2,3-dideoxy-7-C-phenyl-, δ-lactone, (7R)- | [Molecular Formula]
C13H12O4 | [MDL Number]
MFCD23103612 | [MOL File]
65408-91-5.mol | [Molecular Weight]
232.23 |
| Chemical Properties | Back Directory | [Melting point ]
108-109 °C(Solv: ethanol (64-17-5); benzene (71-43-2)) | [Boiling point ]
490.4±45.0 °C(Predicted) | [density ]
1.336±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C | [form ]
solid | [pka]
12.82±0.40(Predicted) | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChI]
1S/C13H12O4/c14-10-7-6-9-13(17-10)11(15)12(16-9)8-4-2-1-3-5-8/h1-7,9,11-13,15H/t9-,11+,12+,13+/m0/s1 | [InChIKey]
ZKIRVBNLJKGIEM-WKSBVSIWSA-N | [SMILES]
O[C@H]1[C@@H]2OC(=O)C=C[C@@H]2O[C@@H]1c3ccccc3 |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301 | [Precautionary statements ]
P301+P310 | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
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