Beta-Citral

CAT: 1596-AR-C07768-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C07768-02Size:25 Units

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CAS Number

106-26-3

Molecular Formula

C10H16O

Molecular Weight

152.24

API Name

Citral

Chemical Information

Neral

Neral is an enal that is 3,7-dimethyloctanal with unsaturation at positions C-2 and C-6. It has been isolated form the essential oils of plant species like lemon. It has a role as an apoptosis inducer and a plant metabolite. It is a monoterpenoid and an enal.

CAS Number	106-26-3
PubChem CID	643779
IUPAC Name	(2Z)-3,7-dimethylocta-2,6-dienal
Molecular Formula	C10H16O
Molecular Weight	152.23
XLogP	3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	171

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-YFHOEESVSA-N

Chemical Structure

2D Structure

CAS: 106-26-3

CID: 643779

Formula: C10H16O

MW: 152.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	152.23
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	152.120115130
Monoisotopic Mass	152.120115130
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AR-C07764-01	Citral
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AR-I04340-01	Beta-Escin (beta-Aescin) (beta >60%)
AR-C04083-01	Calcium Beta-hydroxy-beta-methylbutyrate
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Alternative Products

Catalog	Name
FC01643-01	Citral
TRC-C141275-500MG	a-Citral
MBS5780572	Citral oxime

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