Geranic acid

CAT: 0013-GTR19266104-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19266104-02Size:50 mg

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Description

Geranic acid is a branched-chain carboxylic acid primarily used in the fragrance, flavoring, cosmetics, and agricultural industries. In vitro studies have demonstrated that Geranic acid exhibits strong inhibitory effects against two major corn fungi, Fusarium graminearum and Colletotrichum graminicola. Additionally, Geranic acid has shown antitumor activity.

CAS Number

459-80-3

Field of Research

Infectious Disease & Virology

Smiles

O=C (O) C=C (C) CCC=C (C) C

Molecular Formula

C10H16O2

Molecular Weight

168.23

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Geranic acid

Geranic acid is a polyunsaturated fatty acid that is octa-2,6-dienoic acid bearing two methyl substituents at positions 3 and 7 (the 2E-isomer). It has a role as a pheromone, an antifungal agent, an EC 1.14.18.1 (tyrosinase) inhibitor, a melanin synthesis inhibitor and a plant metabolite. It is a monoterpenoid, a polyunsaturated fatty acid, a methyl-branched fatty acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a geranate.

CAS Number	459-80-3
PubChem CID	5275520
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dienoic acid
Molecular Formula	C10H16O2
Molecular Weight	168.23
XLogP	3.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	208

SMILES

CC(=CCC/C(=C/C(=O)O)/C)C

InChI

InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+

InChIKey

ZHYZQXUYZJNEHD-VQHVLOKHSA-N

Chemical Structure

2D Structure

CAS: 459-80-3

CID: 5275520

Formula: C10H16O2

MW: 168.23

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	168.23
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	168.115029749
Monoisotopic Mass	168.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	208
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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Catalog	Name
CS-BX-00530	Geranic acid
HY-W115529R	Geranic acid (Standard)
OR1071368-01	Acid-apeg6-acid
M2859	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
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MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
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MBS6036559-01	a-Lipoic Acid (Thioctic Acid)

Geranic acid

Chemical Information

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