1-Tetradecene (CHEM009439)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 03:05:00 UTC
Update Date2016-11-09 01:13:59 UTC
Accession NumberCHEM009439
Identification
Common Name1-Tetradecene
ClassSmall Molecule
DescriptionAn unbranched fourteen-carbon alkene with one double bond between C-1 and C-2.
Contaminant Sources
  • FooDB Chemicals
  • HPV EPA Chemicals
  • OECD HPV Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-TetradecyleneChEBI
alpha-TetradeceneChEBI
N-Tetradec-1-eneChEBI
a-TetradeceneGenerator
Α-tetradeceneGenerator
Chemical FormulaC14H28
Average Molecular Mass196.372 g/mol
Monoisotopic Mass196.219 g/mol
CAS Registry Number1120-36-1
IUPAC Nametetradec-1-ene
Traditional Name1-tetradecene
SMILESCCCCCCCCCCCCC=C
InChI IdentifierInChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3
InChI KeyHFDVRLIODXPAHB-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassUnsaturated aliphatic hydrocarbons
Direct ParentUnsaturated aliphatic hydrocarbons
Alternative Parents
Substituents
  • Unsaturated aliphatic hydrocarbon
  • Olefin
  • Alkene
  • Acyclic olefin
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.00011 g/LALOGPS
logP7.27ALOGPS
logP6.38ChemAxon
logS-6.3ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity66.26 m³·mol⁻¹ChemAxon
Polarizability28.12 ųChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-052f-9000000000-c164fdcba229cacaea87Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0a4l-9000000000-2064e9ca5f6367c98603Spectrum
GC-MSGC-MS Spectrum - CI-B (Non-derivatized)splash10-01ot-9700000000-283472fd7bc74e3efa11Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-052f-9000000000-c164fdcba229cacaea87Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0a4l-9000000000-2064e9ca5f6367c98603Spectrum
GC-MSGC-MS Spectrum - CI-B (Non-derivatized)splash10-01ot-9700000000-283472fd7bc74e3efa11Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-05ad-9500000000-801949ad5af4d0207be4Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0900000000-20b95c47acb1dfd9eb9dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-4900000000-dc50a9b1f705b9a044e5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052f-9200000000-271e5d12b0d51972a6dcSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0900000000-3855469bf5809e8ac0a3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0900000000-243fbd8bc54f091a80c1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-002b-6900000000-c70969ed1dae5d7d0c78Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0592-9200000000-be4b246325ea3d93e2a1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0abc-9000000000-ff19083f751743f2d894Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4l-9000000000-141922a730f36877bc57Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0900000000-a144c2e247ea7109ab95Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0900000000-a144c2e247ea7109ab95Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00r2-3900000000-de3fa65d41f5fb256e1fSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0061834
FooDB IDFDB004769
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID13622
ChEBI ID77505
PubChem Compound ID14260
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=4962057
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=5432008
3. Markovetz AJ, Klug MJ, Forney FW: Oxidation of 1-tetradecene by Pseudomonas aeruginosa. J Bacteriol. 1967 Apr;93(4):1289-93.
4. Allen JE, Markovetz AJ: Oxidation of n-tetradecane and 1-tetradecene by fungi. J Bacteriol. 1970 Aug;103(2):426-34.
5. CAMIEN MN, DUNN MS: Back-mutation of Lactobacillus casei 280-16 and 1-tetradecene sensitivity in a back-mutant strain. Arch Biochem Biophys. 1956 Feb;60(2):452-5.
6. Aschmann SM, Tuazon EC, Arey J, Atkinson R: Products and mechanisms of the gas-phase reactions of OH radicals with 1-octene and 7-tetradecene in the presence of NO. Environ Sci Technol. 2010 May 15;44(10):3825-31. doi: 10.1021/es100550n.
7. Anatoly Kramer, Phil Surana, Pramod Nandapurkar, Norman Yang, 'High viscosity polyalphaolefins based on 1-hexene, 1-dodecene and 1-tetradecene.' U.S. Patent US20070225533, issued September 27, 2007.: http://www.google.ca/patents/US20070225533
8. Maria Goze, Pramod Nandapurkar, Norman Yang, 'Low viscosity PAO based on 1-tetradecene.' U.S. Patent US20070225534, issued September 27, 2007.: http://www.google.ca/patents/US20070225534
9. C. S. Warren Huang, Karl W. Meyer, 'Process for separating 1-dodecene and 1-tetradecene from an aluminum alkyl chain growth product.' U.S. Patent US4929788, issued June, 1967.: http://www.google.ca/patents/US4929788
10. Shakti N. Upadhyay, Ram A. Vishwakarma, Sabari Ghosal, Supriya Shukla, Chanda Bose, Anita Kamra, U.S. Patent US5962515, issued October 05, 1999.: http://www.google.ca/patents/US5962515
11. Maria Caridad Brillantes Goze, Pramod Jayant Nandapurkar, Norman Yang, 'Low viscosity PAO based on 1-tetradecene.' U.S. Patent US07544850, issued June 09, 2009.: http://www.google.ca/patents/US07544850
12. Anatoly Ilich Kramer, Phil Surana, Pramod Jayant Nandapurkar, Norman Yang, 'High viscosity polyalphaolefins based on 1-hexene, 1-dodecene and 1-tetradecene.' U.S. Patent US07547811, issued June 16, 2009.: http://www.google.ca/patents/US07547811