Basic information
- CAS
1725-04-8- Standard SMILES
O=C1CCCCCCCCCCCCO1- InChIKey
IUDIJIVSWGWJNV-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Overview
Oxacyclotetradecan-2-one is a macrolide.
Names & identifiers
- Preferred name
- Oxacyclotetradecan-2-one
- IUPAC
- oxacyclotetradecan-2-one
- English name
- 1-oxacyclotetradecan-2-one
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
OXACYCLOTETRADECAN-2-ONEcyclotridecanolidetridecanolactoneUNII-Y9JR19NHXSY9JR19NHXSDTXSID9061916RefChem:168771DTXCID2035510Tridecanoic acid, 13-hydroxy-, laquo muraquo-lactoneIUDIJIVSWGWJNV-UHFFFAOYSA-N1-OXACYCLOTETRADECAN-2-ONE1725-04-8
Show more names
Oxacyclotetradecane-2-one13-Hydroxytridecanoic acid lactone13-Hydroxytridecanoic acid 1,13-lactone
Tridecanolide1,13-Tridecanolide13-tridecanolidetridecano-13-lactoneTridecanoic acid, 13-hydroxy-, .mu.-lactoneSCHEMBL546665orb2942994CHEBI:195942
Database identifiers
- CAS
1725-04-8- PubChem CID
- 15596
- DTXSID
DTXSID9061916- ChEBI
CHEBI:195942- UNII
- Y9JR19NHXS
- Nikkaji
- J105.155E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Melting Point27.5 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 24.5 · 24.5-26.5 °C
- Boiling point
- 317.6 · 317.6±10.0 °C(Predicted)
- Density
- 0.9 · 0.900±0.06 g/cm3(Predicted)
- LogP
- 4.112 · 4.112 (est)
- FDA UNII
- 9 JR19NHXS · Y9JR19NHXS
- EPA Substance Registry System
- -2 · Oxacyclotetradecan-2-one (1725-04-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationOxacyclotetradecan-2-one: INACTIVE
Applications
Uses1,13-Tridecanolide is an odor compound that can be isolated from the angelica root[1].
Upstream & downstream products
Downstream products
Suppliers1 total
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…