Undecanoic γ-lactone - CAS 104-67-6
Catalog: |
BB001453 |
Product Name: |
Undecanoic γ-lactone |
CAS: |
104-67-6 |
Synonyms: |
5-heptyloxolan-2-one |
IUPAC Name: | 5-heptyloxolan-2-one |
Description: | Undecanoic γ-lactone (CAS# 104-67-6) is used in the study of primary mutagenicity screening of food additives used in Japan. |
Molecular Weight: | 184.28 |
Molecular Formula: | C11H20O2 |
Canonical SMILES: | CCCCCCCC1CCC(=O)O1 |
InChI: | InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3 |
InChI Key: | PHXATPHONSXBIL-UHFFFAOYSA-N |
Boiling Point: | 286.00 °C (EPI 4.0) |
Flash Point: | 137°C |
Purity: | 98.0 % |
Density: | 0.9425 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless to slightly yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00005405 |
LogP: | 3.05250 |
Refractive Index: | 1.448 : 1.453 at 20 deg C |
Vapor Pressure: | 0.00271mmHg at 25°C |
GHS Hazard Statement: | H315 (10.09%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21823126 | 20111001 | Changes in volatile compound composition of Antrodia camphorata during solid state fermentation | Journal of the science of food and agriculture |
19848247 | 20090601 | Functional MRI of regional brain responses to 'pleasant' and 'unpleasant' odors | Acta oto-laryngologica. Supplementum |
18618400 | 20080601 | A smelling trip into the past: the influence of synthetic materials on the history of perfumery | Chemistry & biodiversity |
17995626 | 20071001 | Effect of fat level on the perception of five flavor chemicals in ice cream with or without fat mimetics by using a descriptive test | Journal of food science |
17530862 | 20070627 | Characterization of the key aroma compounds in apricots (Prunus armeniaca) by application of the molecular sensory science concept | Journal of agricultural and food chemistry |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.146329876 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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