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
Canonical 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 ℃
Purity
98.0%
Density
0.999 g/mL (25 ℃)
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.
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].

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
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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