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rac-Citronellal (>90%)

CAT: 0572-TRC-C525020-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C525020-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106-23-0
Hazard Statement
Combustible liquid; UN number: UN3082; Packing Group: III
Smiles
CC(CCC=C(C)C)CC=O
Molecular Formula
C10 H18 O
Molecular Weight
154.25
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
Additionnal Information
IUPAC name: 3,7-dimethyloct-6-enal
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Citronellal

Citronellal is a monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma. It has a role as a metabolite and an antifungal agent. It is an aldehyde and a monoterpenoid.

CAS Number106-23-0
PubChem CID7794
IUPAC Name3,7-dimethyloct-6-enal
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity132
SMILES
CC(CCC=C(C)C)CC=O
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
InChIKey
NEHNMFOYXAPHSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Citronellal
CAS: 106-23-0
CID: 7794
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity132
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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