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ω-Pentadecalactone

CAT: 0804-HY-W035362-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-W035362-02Size:10 mM - 1 mL
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Description
ω-Pentadecalactone, a macrocyclic lactone, is a fragrance ingredient. ω-Pentadecalactone is a member of the fragrance structural group macrocyclic lactone and lactide derivative[1].
CAS Number
106-02-5
UNSPSC
12352005
Hazard Statement
H400, H411
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ω-pentadecalactone.html
Purity
99.71
Solubility
DMSO : 66.67 mg/mL (ultrasonic) |Ethanol : 100 mg/mL (ultrasonic)
Smiles
O=C1OCCCCCCCCCCCCCC1
Molecular Formula
C15H28O2
Molecular Weight
240.38
Precautions
H400, H411
References & Citations
[1]D McGinty, et al. Fragrance material review on ω-pentadecalactone. Food Chem Toxicol. 2011 Dec;49 Suppl 2:S193-201.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Pentadecalactone

Cyclopentadecanolide is a macrolide.

CAS Number106-02-5
PubChem CID235414
IUPAC Nameoxacyclohexadecan-2-one
Molecular FormulaC15H28O2
Molecular Weight240.38
XLogP5.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity189
SMILES
C1CCCCCCCOC(=O)CCCCCC1
InChI
InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2
InChIKey
FKUPPRZPSYCDRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentadecalactone
CAS: 106-02-5
CID: 235414
Formula: C15H28O2
MW: 240.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.38
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass240.208930132
Monoisotopic Mass240.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity189
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

Alternative Products

CatalogName
GTR19216439-01ω-Pentadecalactone
BUP18903?-Pentadecalactone
MBS5786241omega-Pentadecalactone
LC-10631.1Omega-Pentadecalactone pure

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