Hydrogenated poly-1-decene

Relevant Data

Food Additives Approved by WHO:

General Information

Chemical nameHydrogenated poly-1-decene
E No.E 907
INS.907
CAS number68037-01-4
GroupNo

From webgate.ec.europa.eu

Authorisation of the use of this additive in Food Additives

The additive is authorised to be used in the following category(ies):
category(ies) Individual restriction(s)/exception(s) footnote
  • Dried fruit and vegetables (4.2.1)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 2000 mg/kg , only dried fruit as glazing agent
  • Other confectionery including breath refreshening microsweets (5.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 2000 mg/kg , only as glazing agent for sugar confectionery
  • Chewing gum (5.3)(legislation:1129/2011, applicable as from 01/06/2013)

  • Decorations, coatings and fillings, except fruit-based fillings covered by category 4.2.4 (5.4)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 2000 mg/kg , as glazing agent only
  • There are no applications for this additive

From webgate.ec.europa.eu

Computed Descriptors

Download SDF
2D Structure
CID13381
IUPAC Namedec-1-ene
InChIInChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3
InChI KeyAFFLGGQVNFXPEV-UHFFFAOYSA-N
Canonical SMILESCCCCCCCCC=C
Molecular FormulaC10H20
Wikipediadecene

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight140.27
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Complexity64.4
CACTVS Substructure Key Fingerprint A A A D c e B w A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G A A A A A A A C A C A A A A C A A A A A A C A A C B C A A A A A A A g A A A I A A A A A A g A A A I A A Q A A A A A A g A A A A A E A g I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area0.0
Monoisotopic Mass140.157
Exact Mass140.157
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count10
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

From Pubchem

ADMET Predicted Profile --- Classification

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9763
Human Intestinal AbsorptionHIA+0.9928
Caco-2 PermeabilityCaco2+0.7989
P-glycoprotein SubstrateNon-substrate0.6522
P-glycoprotein InhibitorNon-inhibitor0.7775
Non-inhibitor0.5881
Renal Organic Cation TransporterNon-inhibitor0.8619
Distribution
Subcellular localizationLysosome0.4578
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8261
CYP450 2D6 SubstrateNon-substrate0.8048
CYP450 3A4 SubstrateNon-substrate0.7278
CYP450 1A2 InhibitorInhibitor0.5418
CYP450 2C9 InhibitorNon-inhibitor0.9157
CYP450 2D6 InhibitorNon-inhibitor0.9426
CYP450 2C19 InhibitorNon-inhibitor0.9190
CYP450 3A4 InhibitorNon-inhibitor0.9832
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.6838
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.7812
Non-inhibitor0.8777
AMES ToxicityNon AMES toxic0.9904
CarcinogensCarcinogens 0.6000
Fish ToxicityHigh FHMT0.9954
Tetrahymena Pyriformis ToxicityHigh TPT0.9981
Honey Bee ToxicityHigh HBT0.7751
BiodegradationReady biodegradable0.5000
Acute Oral ToxicityIII0.6572
Carcinogenicity (Three-class)Non-required0.5494

From admetSAR

ADMET Predicted Profile --- Regression

Model Value Unit
Absorption
Aqueous solubility-4.9876LogS
Caco-2 Permeability1.3776LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity1.3452LD50, mol/kg
Fish Toxicity-1.1807pLC50, mg/L
Tetrahymena Pyriformis Toxicity1.4804pIGC50, ug/L

From admetSAR

Taxonomic Classification

KingdomOrganic compounds
SuperclassHydrocarbons
ClassUnsaturated hydrocarbons
SubclassUnsaturated aliphatic hydrocarbons
Intermediate Tree NodesNot available
Direct ParentUnsaturated aliphatic hydrocarbons
Alternative Parents
Molecular FrameworkAliphatic acyclic compounds
SubstituentsUnsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
DescriptionThis compound 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.

From ClassyFire