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Santalol

Cat No.:V37671 Purity: ≥98%
Santalol is a mixture of alpha and beta isomers of santalol.
Santalol
Santalol Chemical Structure CAS No.: 11031-45-1
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
50mg
100mg
250mg
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Product Description
Santalol is a mixture of alpha and beta isomers of santalol. Alpha-santalol is extracted from sandalwood oil. Alpha-santalol is a promising anticancer drug that may prevent oral, breast, prostate, and skin cancers.
Santalol (CAS#: 11031-45-1) refers to a mixture of the sesquiterpene alcohols α-santalol and β-santalol, which are the primary constituents of sandalwood oil. This compound has the molecular formula C15H24O and a molecular weight of 220.36. Santalol is a colorless or pale yellow liquid with an odor resembling sandalwood, and is soluble in alcohol, fixed oils, mineral oil, and propylene glycol, but insoluble in water and glycerin. It is widely used as a flavoring agent and fragrance ingredient in the food and cosmetic industries.
Biological Activity I Assay Protocols (From Reference)
Targets
Not applicable - this compound is primarily used as a flavoring agent and fragrance ingredient rather than as a drug with specific biological targets.
ln Vitro
In vitro studies on santalol are limited, as the compound is primarily used as a flavoring agent and fragrance ingredient rather than as a pharmacological agent with specific biological targets. As a sesquiterpene alcohol, santalol has been studied for its potential antimicrobial and anti-inflammatory activities, though these studies are typically conducted on sandalwood oil or its individual components. α-Santalol, one of the isomers, has been reported to have chemopreventive and anticancer activities in some studies, though these effects are not well characterized for the mixture. The compound's biological activities are generally attributed to its ability to interact with cellular membranes and modulate signaling pathways.
ln Vivo
In vivo studies on santalol are limited, as the compound is primarily used as a flavoring agent and fragrance ingredient. The compound is generally recognized as safe for use in food and cosmetic applications at appropriate concentrations. Some studies have investigated the potential of α-santalol and sandalwood oil for chemopreventive and anticancer effects in animal models, though these studies are typically conducted on purified α-santalol or sandalwood oil rather than the santalol mixture. The compound is not typically studied as a therapeutic agent, and its primary applications are in the flavor and fragrance industries.
Enzyme Assay
For analytical chemistry applications, santalol is analyzed by gas chromatography (GC) or gas chromatography-mass spectrometry (GC-MS) to determine its composition and purity. The two isomers, α-santalol and β-santalol, are separated and quantified based on their retention times and mass spectra. For biological activity studies, in vitro assays such as antimicrobial susceptibility testing (MIC determination) or anti-inflammatory assays (cytokine production inhibition) may be performed using santalol or sandalwood oil. However, these are not standard applications for the compound, which is primarily used as a flavoring and fragrance ingredient.
Cell Assay
Cellular assays for santalol are not commonly performed, as the compound is primarily used as a flavoring agent and fragrance ingredient rather than as a pharmacological agent. In studies investigating the biological activities of sandalwood oil or its components, cell lines may be treated with santalol or α-santalol to assess effects on cell viability, proliferation, or inflammation. However, these studies are typically conducted on purified α-santalol or on sandalwood oil rather than on the santalol mixture. Cytotoxicity against mammalian cells may be assessed if the compound is being evaluated for potential therapeutic applications, though this is not a primary application.
Animal Protocol
In vivo studies on santalol are not commonly performed for pharmacological evaluation, as the compound is primarily used as a flavoring agent and fragrance ingredient. The compound is generally recognized as safe for use in food and cosmetic applications at appropriate concentrations, and its safety has been established through long-term use in these industries. Some studies have investigated the potential of α-santalol and sandalwood oil for chemopreventive effects in animal models of skin cancer, but these studies are typically conducted on purified α-santalol or sandalwood oil rather than on the santalol mixture.
ADME/Pharmacokinetics
Pharmacokinetic properties of santalol have been studied in the context of its use as a flavoring agent and fragrance ingredient. As a lipophilic sesquiterpene alcohol, santalol is readily absorbed through the skin and gastrointestinal tract. Following absorption, it is metabolized through oxidation and conjugation pathways, with excretion primarily via renal and hepatic routes. The compound's high lipophilicity influences its tissue distribution and ability to cross biological membranes. Its volatile nature also contributes to its rapid elimination through respiratory routes. Detailed pharmacokinetic data are limited, as the compound is not typically studied for pharmaceutical applications.
Toxicity/Toxicokinetics
Toxicological evaluation of santalol indicates that it is generally recognized as safe for use as a flavoring agent and fragrance ingredient at appropriate concentrations. The compound has been used for many years in food and cosmetic products with a well-established safety profile. Standard toxicology assessments include acute and repeated-dose toxicity studies, skin irritation and sensitization tests, and evaluation of effects on liver and kidney function. The compound is considered non-toxic at typical exposure levels, though high concentrations may cause skin irritation in some individuals. Its safety profile supports its use in food and cosmetic applications.
References

[1]. Medicinal properties of alpha-santalol, a naturally occurring constituent of sandalwood oil: review.Nat Prod Res. 2019 Feb;33(4):527-543.

Additional Infomation
See also: Santalor (notes moved to).
Santalol is a mixture of the sesquiterpene alcohols α-santalol and β-santalol, which are the primary constituents of sandalwood oil. The compound is widely used as a flavoring agent and fragrance ingredient in the food and cosmetic industries due to its characteristic sandalwood odor. It is not a drug and is not intended for therapeutic use, though some studies have investigated the potential biological activities of its individual components. Santalol is generally recognized as safe for use in food and cosmetic products, and its primary applications are in flavor and fragrance formulations. The compound is used as an analytical standard for the quantification of sandalwood oil components and as a reference material in fragrance research.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C15H24O
Molecular Weight
220.3505
Exact Mass
220.182
CAS #
11031-45-1
PubChem CID
5368798
Appearance
Colorless to light yellow liquid
Density
1.0±0.1 g/cm3
Boiling Point
312.0±11.0 °C at 760 mmHg
Flash Point
116.3±15.6 °C
Vapour Pressure
0.0±1.5 mmHg at 25°C
Index of Refraction
1.515
LogP
4.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Heavy Atom Count
16
Complexity
315
Defined Atom Stereocenter Count
0
SMILES
O([H])C([H])([H])/C(/C([H])([H])[H])=C(\[H])/C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])C(=C([H])[H])C2([H])C([H])([H])C([H])([H])C1([H])C2([H])[H]
InChi Key
OJYKYCDSGQGTRJ-VZUCSPMQSA-N
InChi Code
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+
Chemical Name
(E)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-en-1-ol
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage.  (2). This product is not stable in solution, please use freshly prepared working solution for optimal results.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.5382 mL 22.6912 mL 45.3823 mL
5 mM 0.9076 mL 4.5382 mL 9.0765 mL
10 mM 0.4538 mL 2.2691 mL 4.5382 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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