Isophytol does not have a defined biological target as a therapeutic agent. It is a chemical intermediate used in the synthesis of vitamins E and K, as well as other terpenoid compounds. The compound is not intended to exert pharmacological effects. Its utility lies in its role as a key intermediate in the production of important vitamins.

Specific in vitro activity data for Isophytol as a pharmacological agent are not documented in the literature. It is primarily used as a chemical intermediate. The compound is not characterized for direct biological activities such as enzyme inhibition or receptor modulation. Its effects in biological systems are related to its metabolism and its role as a precursor to vitamins.

Isophytol is not used for in vivo pharmacological activity assessment as a drug compound. It is a chemical intermediate used in the synthesis of vitamins E and K. The compound is not intended to be administered for therapeutic purposes. Its safety has been evaluated in the context of its use as a chemical intermediate.

Isophytol is not typically used in enzyme/receptor binding assays as a test compound. Its primary applications are as a chemical intermediate in the synthesis of vitamins E and K and as a research chemical. When used in research, it may serve as a starting material for the synthesis of terpenoid compounds. Standard synthetic chemistry protocols are employed for its use.

Isophytol is not used in cell-based assays as a test compound. Its primary applications are as a chemical intermediate and as a research chemical. The compound is not characterized for direct cellular effects. It may be used in studies of terpenoid biosynthesis or as a precursor for the synthesis of bioactive compounds.

Isophytol is not used in animal studies as a pharmacological agent. Its primary applications are as a chemical intermediate in the synthesis of vitamins E and K and as a research chemical. The compound may be used in nutritional studies as a precursor to vitamins, but it is not administered as a test compound for efficacy evaluations.

Isophytol has a molecular weight of 296.53 g/mol and a molecular formula of C₂₀H₄₀O. It is a colorless to pale yellow liquid with a characteristic odor. The compound is also known as Isovegetable alcohol. It is a key intermediate in the synthesis of vitamins E and K and is used in the fragrance industry. It is typically stored under standard laboratory conditions.

Toxicity Summary
Isophyll has low acute oral and dermal toxicity: the oral LD50 in mammals is greater than 5000 mg/kg body weight, with most values greater than 8000 mg/kg body weight. The acute dermal LD50 in rabbits is greater than 5000 mg/kg body weight. The intraperitoneal LD50 in mice is 169 mg/kg body weight. An 8-hour inhalation study in rodents showed no effect from non-aerosol isophyll enrichment environments (NOEC based on vapor pressure is approximately 0.3 mg/m³). Animal studies have shown that isophyll is irritating to the skin, but a 10% petrolatum solution was non-irritating to human volunteers. Isophyll is slightly irritating to the eyes. In rabbits, isophyll caused transient eye irritation, all of which resolved within 8 days. In two sensitization tests, the reactions were classified as irritants rather than sensitizers; the maximum effect test of 10% isophyll in human volunteers was negative. The no adverse effect level (NOEL) for subchronic oral administration over 28 days was 250 mg/kg bw/d, and only minor and reversible effects (including changes in kidney weight) were observed at the lowest observed adverse effect level (LOAEL) of 1000 mg/kg bw/d. Based on histopathological data from a single-generation study (mean exposure time of 64 days for females and 98 days for males), both the NOEL and NOAEL for parental systemic toxicity were below 250 mg/kg bw/d. Isophyll did not show mutagenicity in two bacterial assays, and one bacterial assay was predominantly negative with only a few inconclusive results. No chromosome breakage was observed in the in vivo micronucleus assay. Therefore, isophyll is considered non-mutagenic. There are currently no definitive data on carcinogenicity. In a single-generation reproductive toxicity study, based on renal effects (renal tubular dilation; renal mineralization), the lowest observed adverse effect level (LOAEL) for parental toxicity was 250 mg/kg bw/d. Based on a slight increase in average precoital time, decreased fertility index, and reduced conception rate, the no-observed-adverse-effects dose (NOAEL) for maternal reproductive toxicity was 500 mg/kg bw/d. Postpartum mortality was observed in the low- and medium-dose groups (2% in the control group, 7% in the 250 mg/kg bw/d group, and 8% in the 500 mg/kg bw/d group), and a 39% increase in postpartum mortality was observed in the 1000 mg/kg bw/d group, with maternal clinical symptoms also observed. Based on clinical symptoms and decreased weight gain during lactation, the no-observed-adverse-effects dose (NOAEL) for pupal developmental toxicity was determined to be 500 mg/kg bw/d. In summary, isophyll's overall toxicity to mammals is considered low, but based on animal data, it has potential irritant properties.

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Interactions
Compared to gel ointments without any terpenes, gel ointments containing 1% isophyll (as the sole terpene) significantly enhanced transdermal absorption of indomethacin (rat skin), and indomethacin was not detected in blood samples. However, isophyll's osmosis-promoting effect was relatively weak, significantly lower than any of the seven tested monoterpenes, and comparable to that of the four tested sesquiterpenes; isophyll had the weakest growth-promoting effect among its three diterpenoid compounds.

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Non-human toxicity values
Rats oral LD50 > 8000 mg/kg /see table/
Rats oral LD50 > 12000 mg/kg /Crude isophyll/ /see table/
Mice oral LD50 > 8000 mg/kg /see table/
Mice intraperitoneal injection LD50 169 mg/kg /see table/
Rabbit dermal LD50 > 5000 mg/kg /see table/

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Isophytol is intended for research and industrial use only and is not approved for human therapeutic applications. As a chemical intermediate, comprehensive toxicological data are not extensively documented in the publicly accessible literature. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.

Isophytol has been reported to exist in Pasteurella, barley, and other organisms for which data are available.

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Isophytol (Isovegetable alcohol) (CAS#: 505-32-8) has a molecular formula of C₂₀H₄₀O and a molecular weight of 296.53 g/mol. It is a terpene alcohol used as a key intermediate in the synthesis of vitamins E and K and in the fragrance industry. This compound is not a drug and has not undergone clinical trials.

C20H40O

296.53

296.307

505-32-8

10453

Oily liquid

0.8±0.1 g/cm3

327.8±10.0 °C at 760 mmHg

143.5±4.7 °C

0.0±1.6 mmHg at 25°C

1.456

8.28

1

1

13

21

259

0

CC(CCCC(CCCC(CCCC(C=C)(C)O)C)C)C

KEVYVLWNCKMXJX-UHFFFAOYSA-N

InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3

3,7,11,15-tetramethylhexadec-1-en-3-ol

2934.99.9001

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

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

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.

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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 : PEG300 ：Tween 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 : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline)

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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

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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.

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 (Please use freshly prepared in vivo formulations for optimal results.)