Tetradeca-1,13-diene

HCID 30875CAS 21964-49-8

Substructure search Find similar structures

Basic information

Standard SMILES: C=CCCCCCCCCCCC=C
InChIKey: XMRSTLBCBDIKFI-UHFFFAOYSA-N
Molecular formula: C14H26
Average molar mass: 194.36 g/mol
Monoisotopic mass: 194.20345083

Names & identifiers

Preferred name: Tetradeca-1,13-diene
IUPAC: tetradeca-1,13-diene
English name: 1,13-Tetradecadiene
Molecular formula: C14H26
Molecular weight: 194.36

Names & synonyms

1,13-TETRADECADIENETetradeca-1,13-dienetetradecadiene-1,13AI3-36491DTXSID80176373EINECS 244-687-7RefChem:188481DTXCID3098864244-687-7XMRSTLBCBDIKFI-UHFFFAOYSA-N21964-49-8MFCD00014941

Show more names

Tetradecadiene1,13-Tetradecadiene 90%1,13-Tetradecadiene >1,13-TETRADECADIENE 99+%1,13-Tetradecadiene, 90+%

SCHEMBL2174581,13-Tetradecadiene, 90%SCHEMBL14785905AKOS025294923CS-0323980NS00050131T0673F725125

Database identifiers

CAS: 21964-49-8
PubChem CID: 30875
DTXSID: DTXSID80176373
EC Number: 244-687-7
Nikkaji: J124.074I

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 11
Heavy atoms: 14
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 131 °C/17 · 131 °C/17 mmHg (lit.)
Density: 0.849 g/mL · 0.849 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.443(lit.)
Flash point: 219 °F · 219 °F
form: clear liquid
color: Colorless to Light yellow
BRN: 1741459 · 1741459
InChI: 1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-14H2
InChIKey: XMRSTLBCBDIKFI-UHFFFAOYSA-N
SMILES: C=CCCCCCCCCCCC=C
CAS DataBase Reference: 21964 · 21964-49-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2901.29 · 2901.29.5000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 2901.29.5000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1,13-Tetradecadiene was grafted to hydrogenated B-doped silicon (100) surfaces. It was used in the synthesis of naturally occurring, biologically active pyridine alkaloids theonelladins C and D, niphatesine C and xestamine D.

General Description1,13-Tetradecadiene is an α-diolefin. Polymerization of 1,13-tetradecadiene using aluminum triisobutyl-titanium tetrachloride was reported.