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Ambroxide

Cat No.:V29659 Purity: ≥98%
Ambroxide is a naturally occurring terpenoid compound.
Ambroxide
Ambroxide Chemical Structure CAS No.: 6790-58-5
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
250mg
500mg
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Product Description
Ambroxide is a naturally occurring terpenoid compound. Ambroxide is one of the key components of ambergris.
Ambroxide (CAS 6790-58-5), also known as (-)-Ambroxide or Ambroxan, is a naturally occurring terpenoid compound and one of the key constituents of ambergris, a solid, waxy, flammable substance produced by the digestive system of sperm whales. With a molecular formula of C₁₆H₂₈O and a molecular weight of 236.40 g/mol, this compound is a synthetic spice with the special aroma of natural ambergris, recognized as one of the best substitutes for natural ambergris. Ambroxide is widely used in perfumery as both a fixative and a fragrance enhancer, adding depth and longevity to scent compositions. It is prized for its stability, low volatility, and excellent skin persistence. The compound is non-irritating to the human body and non-allergic to animals, making it very suitable for fragrances for skin, hair, and fabrics. It is often used in soaps and other personal care products.
Biological Activity I Assay Protocols (From Reference)
Targets
Ambroxide does not have a specific therapeutic target as it is primarily used as a fragrance ingredient. It is a terpenoid compound that interacts with olfactory receptors in the nose to produce its characteristic ambergris aroma. As a fragrance molecule, it is known for its stability and low volatility, which contribute to its long-lasting scent profile. The compound is non-irritating to the human body and non-allergic to animals, indicating a favorable safety profile for topical application. Its role as a fixative in perfumery is related to its physicochemical properties rather than specific biological targets.
ln Vitro
Ambroxide does not exhibit significant biological activity as a therapeutic agent. Its primary function is as a fragrance ingredient in perfumery and personal care products. The compound is prized for its stability, low volatility, and excellent skin persistence. It is non-irritating to the human body and non-allergic to animals, making it suitable for use in skin, hair, and fabric fragrances. Its role as a fixative and fragrance enhancer is based on its physicochemical properties rather than biological activity.
ln Vivo
Ambroxide is not evaluated for in vivo activity in animal models as it is a fragrance ingredient rather than a therapeutic agent. Its application is in perfumery and personal care products. The compound is not administered for therapeutic purposes.
Enzyme Assay
In vitro non-cell assays for ambroxide are not applicable as the compound is a fragrance ingredient rather than a pharmaceutical agent. Its properties are typically evaluated using analytical chemistry techniques such as gas chromatography and mass spectrometry to assess purity and composition.
Cell Assay
In vitro cell-based assays for ambroxide are not applicable as the compound is a fragrance ingredient rather than a pharmaceutical agent. Its safety for topical application is typically assessed using standard dermatological tests such as skin patch tests to evaluate irritation and sensitization potential.
Animal Protocol
In vivo animal studies for ambroxide are not typically performed as the compound is a fragrance ingredient rather than a therapeutic agent. Safety assessments for fragrance ingredients typically involve standard toxicological studies in animals to evaluate skin irritation, sensitization, and systemic toxicity, but these are not extensively documented in the available literature.
ADME/Pharmacokinetics
Ambroxide has a molecular weight of 236.40 g/mol and a molecular formula of C₁₆H₂₈O. It has a melting point of 75.0 to 79.0 °C and appears as a white to almost white powder to crystalline solid. The compound should be stored at room temperature (15°C or below in a cool, dry place). It is stable and has low volatility, making it suitable for long-lasting fragrance applications. Detailed pharmacokinetic parameters are not applicable as the compound is not used as a therapeutic agent.
Toxicity/Toxicokinetics
Ambroxide is considered non-toxic and non-irritating to the human body and non-allergic to animals, making it suitable for use in fragrances for skin, hair, and fabrics. It is widely used in soaps and other personal care products. The compound's excellent safety profile has been established through its long history of use in the fragrance industry. Standard safety precautions should be followed when handling the compound in its pure form.
References

[1]. Enzymes for synthetic biology of ambroxide-related diterpenoid fragrance compounds. Adv Biochem Eng Biotechnol. 2015;148:427-47.

Additional Infomation
Ambroxol is a diterpenoid derived from sauropodophyllin and is the primary source of the aroma of ambergris (a solid, waxy, flammable substance produced by the digestive system of sperm whales). It is an organic heterocyclic tricyclic compound and also a diterpenoid. Ambroxol has been reported to have been detected in rockrose (Cistus creticus), and relevant data are available for reference.
Ambroxide is a naturally occurring terpenoid compound and one of the key constituents of ambergris. It is also known as (-)-Ambroxide or Ambroxan. The compound is a synthetic spice with the special aroma of natural ambergris, recognized as one of the best substitutes for natural ambergris. It is widely used in perfumery as both a fixative and a fragrance enhancer, adding depth and longevity to scent compositions. Ambroxide is prized for its stability, low volatility, and excellent skin persistence. It is non-irritating to the human body and non-allergic to animals, making it suitable for fragrances for skin, hair, and fabrics. Often used in soaps and other personal care products. Not a pharmaceutical agent; used as a fragrance ingredient.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C16H28O
Molecular Weight
236.3929
Exact Mass
236.214
CAS #
6790-58-5
PubChem CID
10857465
Appearance
White to off-white solid powder
Density
0.9±0.1 g/cm3
Boiling Point
273.9±8.0 °C at 760 mmHg
Melting Point
74-76 °C(lit.)
Flash Point
104.8±15.3 °C
Vapour Pressure
0.0±0.5 mmHg at 25°C
Index of Refraction
1.481
LogP
5.41
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Heavy Atom Count
17
Complexity
322
Defined Atom Stereocenter Count
4
SMILES
C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CCO3)C)(C)C
InChi Key
YPZUZOLGGMJZJO-LQKXBSAESA-N
InChi Code
InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1
Chemical Name
(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
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

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)
DMSO : ~25 mg/mL (~105.76 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.58 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
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.

Solubility in Formulation 2: ≥ 2.5 mg/mL (10.58 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.2303 mL 21.1515 mL 42.3030 mL
5 mM 0.8461 mL 4.2303 mL 8.4606 mL
10 mM 0.4230 mL 2.1151 mL 4.2303 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.

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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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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