delta-OCTALACTONE
Product Information
Molecular Formula
C8H14O2
Molecular Weight
142.20
Description
Delta-octanolide is a delta-lactone.
Synonyms
2H-Pyran-2-one, tetrahydro-6-propyl-, delta-OCTALACTONE FCC
IUPAC Name
6-propyloxan-2-one
SMILES
CCCC1CCCC(=O)O1
InChI
InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
InChI Key
FYTRVXSHONWYNE-UHFFFAOYSA-N
Boiling Point
249.98 C (EPI 4.0)
Melting Point
-14 °C
Flash Point
125 °C (C.C)
Purity
98.0% (sum of isomers)
Density
0.998 g/mL (25 °C)
Solubility
Insoluble in water; soluble in alcohol.
Appearance
colorless to pale yellow liquid
Shelf Life
12 months from manufacture date
Storage
Store tightly sealed under inert gas in a cool, well-ventilated area.
Refractive Index
1.452 : 1.458 at 20 deg C
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
1.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
142.099379685 g/mol
Monoisotopic Mass
142.099379685 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
120
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-114176277-A | Health-care mask and manufacturing method thereof | 2021-10-20 |
| CN-113461916-A | Polylactic acid and stereocomplex elastomer thereof and preparation method | 2021-07-30 |
| CN-113600012-A | High-flux high-rejection nanofiltration membrane modified by carbonic acid lactone and preparation method thereof | 2021-07-22 |
| CN-113527789-A | Aromatic polyethylene optical cable sheath material for vehicles and preparation method thereof | 2021-07-07 |
| CN-113203816-A | Method for simultaneously detecting gamma-lactone and delta-lactone compounds in Cheddar cheese | 2021-05-17 |
| CN-113214462-A | Polyethylene glycol/polyester block copolymer containing alkyl side chain, thermotropic hydrogel preparation containing polyethylene glycol/polyester block copolymer and application of thermotropic hydrogel preparation | 2021-05-10 |
| CN-113088394-A | Zhongzhou honey peach essence | 2021-04-26 |
| CN-113249171-A | White flower honey essence | 2021-04-26 |
| CN-113122122-A | High-solid-content polyurethane ink resin, preparation method and application thereof | 2021-04-02 |
| JP-6950118-B1 | Non-combustion heating type flavor suction articles and non-combustion heating type flavor suction products | 2021-03-31 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 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 |
| 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 |
| 20298116 | 2008-01-01 | Repellent properties of delta-octalactone against the tsetse fly, Glossina morsitans morsitans | Journal of insect science (Online) |
| 17705437 | 2007-09-19 | Effect of cold storage and packaging material on the major aroma components of sweet cream butter | Journal of agricultural and food chemistry |
| 17611931 | 2007-07-01 | Inhibitory constituents of Euscaphis japonica on lipopolysaccharide-induced nitric oxide production in BV2 microglia | Planta medica |
| 14682515 | 2003-10-01 | Responses of Glossina morsitans morsitans to blends of electroantennographically active compounds in the odors of its preferred (buffalo and ox) and nonpreferred (waterbuck) hosts | Journal of chemical ecology |
| 12475279 | 2002-12-18 | Flavor composition of cashew (Anacardium occidentale) and marmeleiro (Croton species) honeys | Journal of agricultural and food chemistry |
| 12049234 | 2002-05-01 | Odor composition of preferred (buffalo and ox) and nonpreferred (waterbuck) hosts of some Savanna tsetse flies | Journal of chemical ecology |
