CAS 97-54-1|Isoeugenol,mixture of cis and trans
Introduction：Basic information about CAS 97-54-1|Isoeugenol,mixture of cis and trans, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isoeugenol,mixture of cis and trans | ||
|---|---|---|---|
| CAS Number | 97-54-1 | Molecular Weight | 164.201 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 266.6±20.0 °C at 760 mmHg |
| Molecular Formula | C10H12O2 | Melting Point | -10 °C |
| MSDS | ChineseUSA | Flash Point | 122.9±6.7 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | isoeugenol |
|---|---|
| Synonym | More Synonyms |
Isoeugenol,mixture of cis and trans BiologicalActivity
| Description | Isoeugenol is an essential oil constituent of nutmeg, clove, and cinnamon. Isoeugenol inhibits growth of Escherichia coli and Listeria innocua with MICs of 0.6 mg/mL and 1 mg/mL, respectively[1]. |
|---|---|
| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
| In Vitro | Isoeugenol's antibacterial activity covers a broad range of Gram-positive and Gram-negative bacteria, including Escherichia coli, Bacillus licheniformis, Micrococcus luteus, Pseudomonas aeruginosa, Salmonella type B, and Staphylococcus aureus[1]. |
| References | [1]. Hyldgaard M, et al. Isoeugenol has a non-disruptive detergent-like mechanism of action.Front Microbiol. 2015 Jul 28;6:754. |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 266.6±20.0 °C at 760 mmHg |
| Melting Point | -10 °C |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.201 |
| Flash Point | 122.9±6.7 °C |
| Exact Mass | 164.083725 |
| PSA | 29.46000 |
| LogP | 2.45 |
| Vapour density | >1 (vs air) |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.578 |
| InChIKey | BJIOGJUNALELMI-ONEGZZNKSA-N |
| SMILES | CC=Cc1ccc(O)c(OC)c1 |
| Storage condition | 0-6°C |
| Stability | Stable. Incompatible with strong oxidizing agents. |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human - man
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1560 mg/kg
- TOXIC EFFECTS :
- Behavioral - coma
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 328 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 1410 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - coma
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 250 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83233 No. of Facilities: 94 (estimated) No. of Industries: 5 No. of Occupations: 25 No. of Employees: 5786 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83233 No. of Facilities: 3651 (estimated) No. of Industries: 10 No. of Occupations: 19 No. of Employees: 35171 (estimated) No. of Female Employees: 24980 (estimated)
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 250 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83233 No. of Facilities: 94 (estimated) No. of Industries: 5 No. of Occupations: 25 No. of Employees: 5786 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83233 No. of Facilities: 3651 (estimated) No. of Industries: 10 No. of Occupations: 19 No. of Employees: 35171 (estimated) No. of Female Employees: 24980 (estimated)
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315-H317-H319-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | SL7875000 |
| HS Code | 2909500000 |
Customs
| HS Code | 2909500000 |
|---|---|
| Summary | 2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
Articles32
More Articles| Parallel dual secondary column-dual detection: a further way of enhancing the informative potential of two-dimensional comprehensive gas chromatography. J. Chromatogr. A. 1360 , 264-74, (2014) Comprehensive two-dimensional gas chromatography (GC×GC) coupled with Mass Spectrometry (MS) is one of today's most powerful analytical platforms for detailed analysis of medium-to-high complexity sam... | |
| Impact of eugenol and isoeugenol on AhR translocation, target gene expression, and proliferation in human HaCaT keratinocytes. J. Toxicol. Environ. Health A 75(8-10) , 478-91, (2012) The phenolic derivatives eugenol and isoeugenol, which are naturally found in essential oils of different spices, are commonly used as fragrances. Recently data demonstrated that growth suppression pr... | |
| In chemico evaluation of skin metabolism: Investigation of eugenol and isoeugenol by electrochemistry coupled to liquid chromatography and mass spectrometry. J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 913-914 , 106-12, (2013) Skin sensitization is initiated by the modification of proteins located in the skin. After oxidative activation, eugenol and isoeugenol have the potential to modify skin proteins and therefore cause s... |
Synonyms
| 4-hydroxy-3-methoxy-trans-stilbene |
| MOPEG sulfate potassium salt |
| 2-Methoxy-4-[(1E)-prop-1-en-1-yl]phenol |
| 4-hydroxy-3-methoxystilbene |
| 4-hydroxy-3-methoxyphenylethylene glycol 4-sulfate potassium salt |
| NOREPINEPHRINE METABOLITE-D3 POTASSIUM SALT |
| MHPG SULFATE POTASSIUM SALT |
| (E)-isoeugenol |
| Phenol, 2-methoxy-4-[(1E)-1-propen-1-yl]- |
| Isoeugenol |
| 4-hydroxy-3-methoxy-phenylglycol4-sulfate |
| trans-4-hydroxy-3-methoxystilbene |
| 2-Methoxy-4-[(1E)-1-propen-1-yl]phenol |
| 3-Methoxy-4-Hydroxyphenylglycol Sulfate |
| 4-HYDROXY-3-METHOXYPHENYLGLYCOL*4-SULFAT E POTASSIUM |
| MFCD00009285 |
| MOPEG SULFATE |
| (E)-2-methoxy-4-(prop-1-enyl)phenol |
| 4-HYDROXY-3-METHOXYPHENYLGLYCOL SULFATE POTASSIUM SALT |
| MHPG SULFATE |
| EINECS 202-590-7 |
| 2-Méthoxy-4-[(1E)-1-propèn-1-yl]phénol |
