Geraniol - ≥98%, mixture of isomers , CAS No.106-24-1

CAS: 106-24-1 Cat. No.: G401338 Fórmula: C₁₀H₁₈O Peso molecular: 154.25 Beilstein Registry Number: 1722456 Número CE: 203-377-1

GRAU & PUREZA ≥98%, mixture of isomers

Synonyms

2-trans-3,7-Dimethyl-2,6-octadien-1-ol | Tox21_300136 | (2E)-3,7-Dimethyl-2,6-octadien-1-ol | (2E)-3,7-dimethylocta-2,6-dien-1-ol | 1-Octanol, 3,7-dimethyl-, tetradehydro deriv. | 2,6-Octadien-1-ol, 3,7-dimethyl- | DTXCID406727 | GERANIOL [MART.] | (E)-3,

Storage

Room temperature

Shipped In

Normal

Visão geral

Geraniol undergoes oxidation with molecular oxygen in supercritical carbon dioxide catalyzed by chromium containing mesoporous molecular sieve to yield citral.
Geraniol was used in field evaluation of synthetic herbivore-induced plant volatiles as attractants to beneficial insects.It was used to evaluate the tumor-suppressive potency of isoprenoids in vitro and in vivo.

Especificações

Sinónimos

2-trans-3,7-Dimethyl-2,6-octadien-1-ol | Tox21_300136 | (2E)-3,7-Dimethyl-2,6-octadien-1-ol | (2E)-3,7-dimethylocta-2,6-dien-1-ol | 1-Octanol, 3,7-dimethyl-, tetradehydro deriv. | 2,6-Octadien-1-ol, 3,7-dimethyl- | DTXCID406727 | GERANIOL [MART.] | (E)-3,

Especificações e pureza

≥98%, mixture of isomers

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504759627

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759627

Sorrisos canónicos

CC(=CCCC(=CCO)C)C

IUPAC Name

(2E)-3,7-dimethylocta-2,6-dien-1-ol

InChIKey

GLZPCOQZEFWAFX-JXMROGBWSA-N

INCHI

1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

SMILES isoméricas

CC(=CCC/C(=C/CO)/C)C

WGK Alemanha

2

RTECS

RG5830000

Peso molecular

154.25

Beilstein

1722456

Reaxy-Rn

8132082

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8132082&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic monoterpenoids
• Alternative Parents: Fatty alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Fatty alcohol - Fatty acyl - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• External Descriptors: Acyclic monoterpenoids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (0 Activities)

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PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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CALCR Tclin Calcitonin receptor (2215 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

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CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)

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CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

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Alvos associados (não humanos)

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

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Mc4r Melanocortin receptor 4 (1205 Activities)

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Ltc4s Leukotriene C4 synthase (1 Activities)

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Sigmar1 Sigma opioid receptor (160 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Cruzipain (33337 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Klebsiella aerogenes (4963 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus mutans (2687 Activities)

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Aspergillus flavus (8875 Activities)

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Bacillus subtilis (32866 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Cyberlindnera jadinii (900 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Corynebacterium ammoniagenes (75 Activities)

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Cutibacterium acnes (887 Activities)

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Pichia kudriavzevii (7448 Activities)

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Penicillium chrysogenum (1593 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Candida parapsilosis (8521 Activities)

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Fusarium oxysporum (3998 Activities)

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Trichomonas vaginalis (2376 Activities)

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Spodoptera littoralis (798 Activities)

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Manduca sexta (30 Activities)

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Caenorhabditis elegans (1055 Activities)

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Meloidogyne incognita (862 Activities)

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Aedes aegypti (630 Activities)

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Rattus norvegicus (775804 Activities)

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Tetranychus urticae (2600 Activities)

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Heliothis virescens (272 Activities)

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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

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Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

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Aspergillus parasiticus (296 Activities)

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Colletotrichum gloeosporioides (560 Activities)

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Helicoverpa zea (137 Activities)

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Malassezia furfur (70 Activities)

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Panagrellus redivivus (38 Activities)

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Psoroptes ovis (78 Activities)

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Tribolium castaneum (596 Activities)

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Colletotrichum camelliae (51 Activities)

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Arvicola amphibius (11 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Not miscible in water.
• Índice de refração: 1.475-1.479
• Ponto de inflamação (°F): 226.4 °F
• Ponto de inflamação (°C): 110 °C
• Ponto de ebulição (°C): 229-230°C
• Ponto de fusão (°C): -15°C
• Peso molecular: 154.250 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1