5-Decanolide - CAS 705-86-2
Catalog: |
BB034186 |
Product Name: |
5-Decanolide |
CAS: |
705-86-2 |
Synonyms: |
6-pentyloxan-2-one |
IUPAC Name: | 6-pentyloxan-2-one |
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. |
Molecular Weight: | 170.25 |
Molecular Formula: | C10H18O2 |
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. |
MDL: | MFCD00006649 |
LogP: | 2.66240 |
Refractive Index: | 1.456 : 1.459 at 20 deg C |
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CN-113475651-A | Peach essence | 20210707 |
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PMID | Publication Date | Title | Journal |
21535590 | 20101101 | Effects of alpha-tocopherol on lactones in beef headspace during storage | Journal of food science |
21535618 | 20101101 | Effects of bagging on volatiles and polyphenols in 'Wanmi' peaches during endocarp hardening and final fruit rapid growth stages | Journal of food science |
20827703 | 20101004 | A gram-scale batch and flow total synthesis of perhydrohistrionicotoxin | Chemistry (Weinheim an der Bergstrasse, Germany) |
20415420 | 20100526 | Expression of genes associated with aroma formation derived from the fatty acid pathway during peach fruit ripening | Journal of agricultural and food chemistry |
19817420 | 20091111 | Odor-active compounds in cardboard | Journal of agricultural and food chemistry |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.130679813 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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