5-Decanolide

Product Information

Molecular Formula:
C10H18O2
Molecular Weight:
170.25
Description
5-Decanolide (CAS# 705-86-2) is a naturally occurring cyclic ester used by food and flavor industries for its coconut fragrance and taste. It is also used as a reagent in the synthesis of (±)-Massoilactone (M197600); a chemical component with antibacterial activity found in volatile oils.
Synonyms
6-pentyloxan-2-one
IUPAC Name
6-pentyloxan-2-one
Canonical SMILES
CCCCCC1CCCC(=O)O1
InChI
InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
InChI Key
GHBSPIPJMLAMEP-UHFFFAOYSA-N
Boiling Point
283.16 °C (EPI 4.0)
Melting Point
-27 °C
Flash Point
145 °C (C.C)
Purity
98.0 % (sum of isomers)
Density
0.954 g/mL (25 °C)
Solubility
Insoluble in water; soluble in alcohol.
Appearance
Colorless liquid
Storage
Store tightly sealed under inert gas in a cool, well-ventilated area.
Refractive Index
1.456 : 1.459 at 20 deg C
LogP
2.66240

Computed Properties

XLogP3
2.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
170.130679813 g/mol
Monoisotopic Mass
170.130679813 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
143
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114042429-A Production device and method of natural delta-decalactone spice 2021-12-22
CN-113980739-A Flower fragrance essence with fresh flower style aromatic charm and preparation method thereof 2021-11-26
CN-114158643-A High-fiber low-fat ice cream powder and application thereof 2021-11-25
CN-113979980-A Preparation method of high-purity butyrolactone 2021-11-22
CN-114009731-A Tea flavor base material and preparation method and application thereof 2021-11-05
CN-113861146-A Synthesis process of natural delta-decalactone 2021-10-29
CN-113749977-A A hair treatment perfume composition with lasting fragrance 2021-09-24
CN-113861001-A Production method of 1-octene-3-ketone 2021-09-15
CN-113826941-A Microcapsule for electronic cigarette liquid and preparation method thereof 2021-09-06
CN-113693265-A Nut coffee electronic atomized liquid and preparation method thereof 2021-08-31

Literatures

PMID Publication Date Title Journal
21535590 2010-11-01 Effects of alpha-tocopherol on lactones in beef headspace during storage Journal of food science
20827703 2010-10-04 A gram-scale batch and flow total synthesis of perhydrohistrionicotoxin Chemistry (Weinheim an der Bergstrasse, Germany)
20415420 2010-05-26 Expression of genes associated with aroma formation derived from the fatty acid pathway during peach fruit ripening Journal of agricultural and food chemistry
19630425 2009-08-26 Characterization and quantification of odor-active compounds in unsaturated fatty acid/conjugated linoleic acid (UFA/CLA)-enriched butter and in conventional butter during storage and induced oxidation Journal of agricultural and food chemistry
18598047 2008-08-13 Comparison of sugar, acids, and volatile composition in raspberry bushy dwarf virus-resistant transgenic raspberries and the wild type 'meeker' (rubus idaeus L.) Journal of agricultural and food chemistry
18495140 2008-06-27 Optimization of headspace solid-phase microextraction for the analysis of specific flavors in enzyme modified and natural Cheddar cheese using factorial design and response surface methodology Journal of chromatography. A
18473468 2008-06-11 Volatile composition in raspberry cultivars grown in the Pacific Northwest determined by stir bar sorptive extraction-gas chromatography-mass spectrometry Journal of agricultural and food chemistry
18576988 2008-06-01 Analysis of volatile compounds in beef fat by dynamic-headspace solid-phase microextraction combined with gas chromatography-mass spectrometry Journal of food science
18393434 2008-05-14 Characterization of odor-active compounds in extracts obtained by simultaneous extraction/distillation from moroccan black olives Journal of agricultural and food chemistry
17935296 2007-11-14 Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream Journal of agricultural and food chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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