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ε-Caprolactone

CAT: 0804-HY-W015891-03Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0804-HY-W015891-03Size:1 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ε-Caprolactone is a lactone compound that can be isolated from the Arctic thorn[1].
CAS Number
502-44-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Purity
99.99
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C1OCCCCC1
Molecular Formula
C6H10O2
Molecular Weight
114.14
Precautions
H302, H315, H319, H335
References & Citations
[1]KALLIO H. IDENTIFICATION OF VACUUM STEAM‐DISTILLED AROMA COMPOUNDS IN THE PRESS JUICE OF ARCTIC BRAMBLE, Rubus arcticus L[J]. Journal of Food Science, 1976, 41 (3) : 555-562.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

epsilon-CAPROLACTONE

Hexano-6-lactone is a -lactone that is oxepane substituted by an oxo group at position 2.

CAS Number502-44-3
PubChem CID10401
IUPAC Nameoxepan-2-one
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP0
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity88
SMILES
C1CCC(=O)OCC1
InChI
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
InChIKey
PAPBSGBWRJIAAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of epsilon-CAPROLACTONE
CAS: 502-44-3
CID: 10401
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity88.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes