Cyclotridecanone

HCID 79114

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Basic information

CAS: 832-10-0
Standard SMILES: O=C1CCCCCCCCCCCC1
InChIKey: VHUGWUBIUBBUAF-UHFFFAOYSA-N
Molecular formula: C13H24O
Average molar mass: 196.33 g/mol
Monoisotopic mass: 196.18271539

Names & identifiers

Preferred name: Cyclotridecanone
IUPAC: cyclotridecanone
English name: Cyclotridecanone
Molecular formula: C13H24O
Molecular weight: 196.33

Names & synonyms

Cyclotridecanone832-10-0EINECS 212-615-3DTXSID90232212RefChem:130023DTXCID90154703212-615-3VHUGWUBIUBBUAF-UHFFFAOYSA-Ncyclotridecan-1-onecyclotridecanonM9P6DXT6YXSCHEMBL6067572

Show more names

Cyclotridecane-1-oneCyclotridecanonetech

AKOS015915686DB-243371NS00038242ST50406753

Database identifiers

CAS: 832-10-0
PubChem CID: 79114
DTXSID: DTXSID90232212
UNII: M9P6DXT6YX
EC Number: 212-615-3
Nikkaji: J79.981E

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 135

Experimental & physicochemical properties

SpringerMaterials PropertiesDielectric constant

Physicochemical properties

Melting point: 30 · 30-31 °C(lit.)
Boiling point: 146 °C11 · 146 °C11 mm Hg(lit.)
Density: 0.927 g/mL · 0.927 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.479(lit.)
Flash point: 230 °F · >230 °F
LogP: 4.51 · 4.510 (est)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 2914290090 · 2914290090

Safety & regulation

Safety data

wgk: 3
hs_code: 2914290090
safety_code: 24/25

Chemistry & industry

Applications

UsesCyclotridecanone has mainly academic interest in the study of relationship between chemical structure and musk odor. It is rarely, if ever, used in perfume compositions.