gamma-HEPTALACTONE
Product Information
Molecular Formula
C7H12O2
Molecular Weight
128.17
Description
gamma-HEPTALACTONE is a lactone.
Synonyms
2(3H)-Furanone, dihydro-5-propyl-, 4-Heptanolide, 4-Hydroxyheptanoic acid, gamma-lactone, 5-Propyldihydrofuran-2(3H)-one, gamma-HEPTALACTONE FCC, gamma-Propiobutyrolactone, gamma-Propylbutyrolactone, Heptan-4-olide
IUPAC Name
5-propyloxolan-2-one
SMILES
CCCC1CCC(=O)O1
InChI
InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
InChI Key
VLSVVMPLPMNWBH-UHFFFAOYSA-N
Boiling Point
230.34 C (EPI 4.0)
Flash Point
108 °C
Purity
98.0%
Density
0.999 g/mL (25 °C)
Solubility
Insoluble in water; soluble in alcohol.
Appearance
colorless liquid
Application
Used as flavoring agent or adjuvant.
Shelf Life
30 months from manufacture date
Storage
Store tightly sealed under inert gas in a cool, well-ventilated area.
Refractive Index
1.439 : 1.445 at 20 deg C
Safety Information
Hazards
H315:
Causes skin irritation.
Causes skin 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.
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.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
1.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
128.083729621 g/mol
Monoisotopic Mass
128.083729621 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
110
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-113558282-A | Electronic cigarette liquid and atomization device containing same | 2021-08-23 |
| CN-113629298-A | Lithium ion battery electrolyte | 2021-07-30 |
| CN-113527789-A | Aromatic polyethylene optical cable sheath material for vehicles and preparation method thereof | 2021-07-07 |
| JP-6942404-B1 | Power generation elements, power generation equipment, electronic devices, power generation methods, and manufacturing methods of power generation elements | 2021-07-05 |
| JP-6950118-B1 | Non-combustion heating type flavor suction articles and non-combustion heating type flavor suction products | 2021-03-31 |
| KR-102242940-B1 | Method for preparing a non-reducing cleaning composition containing vegetable extracts and a non-reducing cleaning composition prepared thereby | 2021-01-19 |
| JP-2022042127-A | Inkjet Metallic Ink Compositions and Inkjet Metallic Inks | 2020-09-02 |
| WO-2022049851-A1 | Resin composition for easily dyeable synthetic fibers, and synthetic fiber easily dyeable with acidic dye | 2020-09-01 |
| JP-2022040645-A | Inkjet ink composition set and inkjet recording method | 2020-08-31 |
| US-2022064465-A1 | Ink Jet Ink Composition Set and Ink Jet Recording Method | 2020-08-31 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20530377 | 2010-09-01 | Integrating heterogeneous odor response data into a common response model: A DoOR to the complete olfactome | Chemical senses |
| 17504488 | 2007-06-01 | Growth promotion of quorum-quenching bacteria in the rhizosphere of Solanum tuberosum | Environmental microbiology |
| 16524097 | 2006-02-01 | Optimization of the solid-phase microextraction method in the determination of Ixodes ricinus (L.) volatiles | Journal of separation science |
| 15916432 | 2005-06-02 | Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors | Journal of medicinal chemistry |
| 11312866 | 2001-03-01 | Evidence of starch inclusion complexation with lactones | Journal of agricultural and food chemistry |
