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2-Methyldecanenitrile

CAT: 0804-HY-W702290-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W702290-01Size:100 mg
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Description
2-Methyldecanenitrile is a compound with biological activity for fragrance applications. 2-Methyldecanenitrile exhibits a rich peach aroma with frankincense undertones in perfume compositions. 2-Methyldecanenitrile is stable across the entire pH range, enabling it to create a stable fruity effect at low concentrations in any application[1].
CAS Number
69300-15-8
UNSPSC
12352211
Hazard Statement
H411
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-methyldecanenitrile.html
Smiles
N#CC(CCCCCCCC)C
Molecular Formula
C11H21N
Molecular Weight
167.29
Precautions
P273-P391-P501
References & Citations
[1]RIFM fragrance ingredient safety assessment, 2-methyldecanenitrile, CAS Registry Number 69300-15-8
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Methyldecanenitrile
CAS Number69300-15-8
PubChem CID3017923
IUPAC Name2-methyldecanenitrile
Molecular FormulaC11H21N
Molecular Weight167.29
XLogP4.6
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity131
SMILES
CCCCCCCCC(C)C#N
InChI
InChI=1S/C11H21N/c1-3-4-5-6-7-8-9-11(2)10-12/h11H,3-9H2,1-2H3
InChIKey
XPCSGXMQGQGBKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyldecanenitrile
CAS: 69300-15-8
CID: 3017923
Formula: C11H21N
MW: 167.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.29
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass167.167399674
Monoisotopic Mass167.167399674
Topological Polar Surface Area23.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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