CAS 121-33-5|Vanillin
Introduction：Basic information about CAS 121-33-5|Vanillin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Vanillin | ||
|---|---|---|---|
| CAS Number | 121-33-5 | Molecular Weight | 152.147 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 282.6±20.0 °C at 760 mmHg |
| Molecular Formula | C8H8O3 | Melting Point | 81-83 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 117.6±15.3 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | vanillin |
|---|---|
| Synonym | More Synonyms |
Vanillin BiologicalActivity
| Description | Vanillin is a single molecule extracted from vanilla beans and also a popular odor used widely in perfume, food and medicine. |
|---|---|
| Related Catalog | Research Areas >>OthersNatural Products >>Acids and Aldehydes |
| Target | Human Endogenous Metabolite |
| In Vitro | Vanillin recovers UVA-induced reduction of proliferation in a dose dependent manner. Vanillin has no apoptotic effects at the tested concentrations. In addition, the reduced expression levels of OCT4, NANOG, and SOX2 caused by UVA irradiation are allincreased by Vanillin treatment, suggesting that Vanillin attenuates the effects of UVA irradiation on hAMSCs. Based on a luciferase reporter assay, Vanillin increases the reduced activity of HRE-luciferase reporter caused by UVA irradiation. In addition, treatment with Vanillin attenuates the reduced expression of HIF-1α caused by UVA irradiation. The results reveal that treatment of hAMSCs with Vanillin results in significant decrease in the production of PGE2 and cAMP when compare to UVA-irradiated controls[1]. |
| In Vivo | Following antidepressant treatment for 4 weeks, immobility time in the stress+Vanillin and stress+fluoxetine groups is significantly decreased [F(4,42)=34.73, P<0.01; F(4,42)=13.55, P<0.01, respectively]. Treatment with Vanillin or fluoxetine remarkably alleviates the decrease in sucrose consumption in CUMS model animals [F(4,42)=12.32, P<0.01; F(4,42)=5.65, P<0.01, respectively]. In CUMS model rats, 5-HT level in the stress+Vanillin and stress+fluoxetine groups is significantly increased when compare with the stress group [F(4,42)=4.846, P=0.030; F(4,42)=4.846, P=0.036, respectively], whereas noradrenaline (NE) in the two groups is elevated but not significantly [F(4,42)=6.977, n.s.]. Dopamine (DA) is also significantly increased in the stress+Vanillin group compare with the stress group [F(4.42)=6.174, P=0.041][2]. |
| Kinase Assay | hAMSCs are irradiated with the indicated doses of UVA and then incubated with the indicated concentrations of Vanillin for three days under serum-free conditions. After the incubation, the concentrations of PGE2 or cAMP in the culture supernatant are measured using ELISA kits. Culture supernatants are added into 96 well plates. Alkaline phosphatase conjugated PGE2 or cAMP and antibodies to PGE2 or cAMP are added to sample wells and incubated at room temperature for 2 h. The sample wells are then washed with PBS and p-nitrophenyl phosphate (pNpp) substrate solution is added. Finally, the samples are incubated at room temperature for 1 h and their absorbance values are read according to the manufacturer's instructions[1]. |
| Cell Assay | hAMSCs are irradiated with the indicated doses of UVA and then incubated with 1 to 100 μM of Vanillin for three days under serum-free conditions (in DMEM devoid of serum, at 37°C with 5% CO2). After three days, cell proliferation is measured using BrdU incorporation assay[1]. |
| Animal Admin | Male Sprague-Dawley rats (200 to 250 g) are used in this study. The animals are divided into three groups with 8 to 10 rats per group: the stress+fluoxetine group; the stress+Vanillin aromatherapy group and the stress (untreated) group. For the stress+fluoxetine group, the animals are administered a daily oral dose (10 mg/kg/d, diluted in distilled water) of the SSRI fluoxetine each morning. For the stress+Vanillin group and the bulbectomy+Vanillin group, Vanillin is administrated in a Plexiglas cylinder 50 cm tall and 35 cm diameter with two layers separated by a porous Plexiglas board. The rat still in its cage is gently placed on the upper layer, and 5 mL of 600 mg/L Vanillin (in distilled water) sprayed on to the floor of the lower layer. Rats in the stress and the control groups receive similar handling to the stress+Vanillin group, but without any odor administrated[2]. |
| References | [1]. Lee SY, et al. Vanillin attenuates negative effects of ultraviolet A on the stemness of human adipose tissue-derived mesenchymal stem cells. Food Chem Toxicol. 2016 Oct;96:62-9. [2]. Xu J, et al. Vanillin-induced amelioration of depression-like behaviors in rats by modulating monoamine neurotransmitters in the brain. Psychiatry Res. 2015 Feb 28;225(3):509-14. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 282.6±20.0 °C at 760 mmHg |
| Melting Point | 81-83 °C(lit.) |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.147 |
| Flash Point | 117.6±15.3 °C |
| Exact Mass | 152.047348 |
| PSA | 46.53000 |
| LogP | 1.19 |
| Vapour density | 5.3 (vs air) |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.588 |
| InChIKey | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| SMILES | COc1cc(C=O)ccc1O |
| Storage condition | Refrigerator |
| Stability | Stable. May discolour on exposure to light. Moisture-sensitive. Incompatible with strong oxidizing agents, perchloric acid. |
| Water Solubility | 10 g/L (25 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1580 mg/kg
- TOXIC EFFECTS :
- Behavioral - coma
- TYPE OF TEST :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >41700 ug/kg/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Liver - jaundice, other or unclassified
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1500 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory stimulation
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3925 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - coma
- TYPE OF TEST :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >41700 ug/kg/2H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 475 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 1320 mg/kg
- TOXIC EFFECTS :
- Vascular - BP lowering not characterized in autonomic section Vascular - acute arterial occlusion Lungs, Thorax, or Respiration - other changes
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5010 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - peritonitis
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 1400 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4480 mg/kg/70D-I
- TOXIC EFFECTS :
- Cardiac - other changes Blood - changes in spleen Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 273 gm/kg/13W-C
- TOXIC EFFECTS :
- Liver - other changes Kidney, Ureter, Bladder - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 41700 ug/m3/4H/30D-I
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 20 mg/kg
- SEX/DURATION :
- female 4 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 750 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 169,129,1986 *** REVIEWS *** TOXICOLOGY REVIEW FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,611,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0609 No. of Facilities: 378 (estimated) No. of Industries: 14 No. of Occupations: 28 No. of Employees: 6740 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0609 No. of Facilities: 10912 (estimated) No. of Industries: 89 No. of Occupations: 97 No. of Employees: 177946 (estimated) No. of Female Employees: 69887 (estimated)
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 750 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 169,129,1986 *** REVIEWS *** TOXICOLOGY REVIEW FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,611,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0609 No. of Facilities: 378 (estimated) No. of Industries: 14 No. of Occupations: 28 No. of Employees: 6740 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0609 No. of Facilities: 10912 (estimated) No. of Industries: 89 No. of Occupations: 97 No. of Employees: 177946 (estimated) No. of Female Employees: 69887 (estimated)
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22 |
| Safety Phrases | S24/25-S22 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 1 |
| RTECS | YW5775000 |
| HS Code | 2912410000 |
Customs
| HS Code | 2912410000 |
|---|---|
| Summary | HS: 2912410000. 4-hydroxy-3-methoxybenzaldehyde. VAT:17.0%. tax rebate rate:13.0%. supervision conditions:None. MFN tarrif:5.5%. general tariff:30.0% |
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Synonyms
| 4-Hydroxy-3-methoxybenzaldehyde,Vanillic aldehyde |
| Lioxin |
| 3-Methoxy-4-hydroxybenzaldehyde |
| Vanillin (contains H2SO4) Ethanol |
| VANILLA |
| VANILLINE |
| Zimco |
| 4-oxy-3-methoxybenzaldehyde |
| Reference source: Negwer |
| Vinillin |
| compound no 1131 |
| Rhovanil |
| 3-methoxy-4-hydroxy-benzaldehyde |
| Vanilin |
| Vanillin |
| MFCD00006942 |
| 4-Hydroxy-3-methoxybenzaldehyde |
| EINECS 204-465-2 |
| FEMA 3107 |
