1-Tridecyne

HCID 117754CAS 26186-02-7

Substructure search Find similar structures

Basic information

Standard SMILES: C#CCCCCCCCCCCC
InChIKey: GZEDKDBFUBPZNG-UHFFFAOYSA-N
Molecular formula: C13H24
Average molar mass: 180.33 g/mol
Monoisotopic mass: 180.18780077

Names & identifiers

Preferred name: 1-Tridecyne
IUPAC: tridec-1-yne
English name: 1-Tridecyne
Molecular formula: C13H24
Molecular weight: 180.33

Names & synonyms

1-Tridecyne26186-02-71-C13H24EINECS 247-511-7DTXSID0067185RefChem:77308DTXCID3037460GZEDKDBFUBPZNG-UHFFFAOYSA-Ntridec-1-yneMFCD00015074tridecyneSCHEMBL128669

Show more names

ridec-1-yne1-Tridecyne,97%UndecylacetyleneHendecylacetyleneTIMTEC-BB SBB009041

SCHEMBL131151SCHEMBL1470503SCHEMBL24498572-NONYL ETHYL ACETYLENESCHEMBL10985797SBB009041AKOS006230182AT34840

Database identifiers

CAS: 26186-02-7
PubChem CID: 117754
DTXSID: DTXSID0067185
EC Number: 247-511-7
Nikkaji: J151.157B

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

Kovats Retention Index · 3 items

1313

1283；1296；1297；1298

1532；1533；1533；1533；1533；1503.8；1506.7；1526.1；1527.2

Physicochemical properties

Melting point: -4.99 °C · -4.99°C
Boiling point: 94 · 94,5°C 25mm
Density: 0 · 0,773 g/cm3
refractive index: 1.438 · 1.4380
Flash point: 116 · 116-118°C/10mm
Water Solubility: Not miscible or difficult to mix in water.
BRN: 1744658 · 1744658
Henry's Law Constant: 7.4 · 7.4×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
CAS DataBase Reference: 26186 · 26186-02-7(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1-Tridecyne (26186-02-7)
Hazard statements: 227 · H227
Precautionary statements: 210 e-P280a-P370+P378a-P403+P235-P501a · P210e-P280a-P370+P378a-P403+P235-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

tsca: TSCA listed
risk_code: 36/37/38
safety_code: 26-36/37/39
Hazard statements: H227
Precautionary statements: P210e-P280a-P370+P378a-P403+P235-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Tridecyne: INACTIVE

Applications

UsesIt finds its application in the synthesis of unsaturated fatty acids and in the stereoselective synthesis of d-erythro- and l-threo-sphinganines via palladium-catalyzed equilibration and Suzuki coupling.