Geranylacetone [mixture of (E)- and (Z)- isomers] - CAS 689-67-8
Catalog: |
BB033663 |
Product Name: |
Geranylacetone [mixture of (E)- and (Z)- isomers] |
CAS: |
689-67-8 |
Synonyms: |
(5E)-6,10-dimethyl-2-undeca-5,9-dienone; (5E)-6,10-dimethylundeca-5,9-dien-2-one |
IUPAC Name: | (5E)-6,10-dimethylundeca-5,9-dien-2-one |
Description: | Geranylacetone [mixture of (E)- and (Z)- isomers] (CAS# 689-67-8) is an amino acid building block used in peptide synthesis. With a growing peptide drug market the fast, reliable synthesis of peptides is of great importance. |
Molecular Weight: | 194.31 |
Molecular Formula: | C13H22O |
Canonical SMILES: | CC(=CCCC(=CCCC(=O)C)C)C |
InChI: | InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+ |
InChI Key: | HNZUNIKWNYHEJJ-FMIVXFBMSA-N |
Boiling Point: | 254-258 °C (lit.) |
Flash Point: | >230 °F |
Purity: | 96.5 % (sum of isomers) |
Density: | 0.873 g/mL at 25°C(lit.) |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Light yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
LogP: | 4.04830 |
Refractive Index: | n20/D 1.467(lit.) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P273, P280, P302+P352, P321, P332+P313, P362, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
29445768 | 20180101 | HsTRPA of the Red Imported Fire Ant, Solenopsis invicta, Functions as a Nocisensor and Uncovers the Evolutionary Plasticity of HsTRPA Channels | eNeuro |
22313149 | 20121001 | SVOC exposure indoors: fresh look at dermal pathways | Indoor air |
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22310841 | 20120501 | Chemical composition and in vitro cytotoxic, genotoxic effects of essential oil from Urtica dioica L | Bulletin of environmental contamination and toxicology |
22477026 | 20120401 | Electrophysiological and behavioral responses of the black-banded oak borer, Coroebus florentinus, to conspecific and host-plant volatiles | Journal of chemical ecology |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 194.167065321 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.167065321 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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