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Citral

CAT: 0572-TRC-C520000-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C520000-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5392-40-5
Synonyms
2,6-Octadienal, 3,7-dimethyl-; 3,7-Dimethyl-2,6-octadien-1-al; 3,7-Dimethyl-2,6-octadienal; Citral; Citral PQ Extra; Lemarome N; Lemsyn GB; NSC 6170
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC(=CCC\C(=C\C=O)\C)C
Molecular Formula
C10 H16 O
Molecular Weight
152.23
InChI
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
Additionnal Information
IUPAC name: (2E)-3,7-dimethylocta-2,6-dienal
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Citral

Geranial is a monoterpenoid that is (2E,6E)-octa-2,6-dienal substituted by methyl groups at positions 3 and 7. It has a role as a volatile oil component and a plant metabolite. It is a polyprenal, a monoterpenoid and an enal.

CAS Number5392-40-5
PubChem CID638011
IUPAC Name(2E)-3,7-dimethylocta-2,6-dienal
Molecular FormulaC10H16O
Molecular Weight152.23
XLogP3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity171
SMILES
CC(=CCC/C(=C/C=O)/C)C
InChI
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKey
WTEVQBCEXWBHNA-JXMROGBWSA-N
Chemical Structure
2D Structure
2D structure of Citral
CAS: 5392-40-5
CID: 638011
Formula: C10H16O
MW: 152.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.23
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass152.120115130
Monoisotopic Mass152.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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