Tetradeca-1,13-diene
Basic information
- CAS
21964-49-8- 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 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Upstream & downstream products
Downstream products
Related reactions
11 records
Compound notes
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