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/

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

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.)