CAS 39515-51-0|3-Phenoxybenzaldehyde
Introduction：Basic information about CAS 39515-51-0|3-Phenoxybenzaldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Phenoxybenzaldehyde | ||
|---|---|---|---|
| CAS Number | 39515-51-0 | Molecular Weight | 198.22 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 392.4±0.0 °C at 760 mmHg |
| Molecular Formula | C13H10O2 | Melting Point | 13 °C |
| MSDS | ChineseUSA | Flash Point | 156.1±13.9 °C |
| Symbol | GHS06, GHS09 | Signal Word | Danger |
Names
| Name | 3-Phenoxy-benzaldehyde |
|---|---|
| Synonym | More Synonyms |
3-Phenoxybenzaldehyde BiologicalActivity
| Description | 3-Phenoxybenzaldehyde has weak complement classical pathway inhibition and hemolytic activity[1]. |
|---|---|
| Related Catalog | Signaling Pathways >>Immunology/Inflammation >>Complement SystemResearch Areas >>Inflammation/Immunology |
| References | [1]. Master HE, et al. Synthesis of low molecular weight compounds with complement inhibition activity. Bioorg Med Chem Lett. 2003 Apr 7;13(7):1249-51. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 392.4±0.0 °C at 760 mmHg |
| Melting Point | 13 °C |
| Molecular Formula | C13H10O2 |
| Molecular Weight | 198.22 |
| Flash Point | 156.1±13.9 °C |
| Exact Mass | 198.068085 |
| PSA | 26.30000 |
| LogP | 3.38 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.609 |
| InChIKey | MRLGCTNJRREZHZ-UHFFFAOYSA-N |
| SMILES | O=Cc1cccc(Oc2ccccc2)c1 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533489 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1222 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Skin and Appendages - hair
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533495
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 270 mg/m3/4H
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534417
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1980 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 61(3),6,1996
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 26,954,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 7071 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534418 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 310 ug/m3/24H/17W-C
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 61(3),6,1996 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- DOSE :
- 2600 ug/m3/24H
- SEX/DURATION :
- male 17 week(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 61(3),6,1996
Safety Information
| Symbol | GHS06, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H330-H400 |
| Precautionary Statements | P260-P273-P284-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | T+:Verytoxic; |
| Risk Phrases | R22;R26 |
| Safety Phrases | S23-S24/25-S45-S38-S28 |
| RIDADR | UN2810 |
| WGK Germany | 3 |
| RTECS | CU7560200 |
| Packaging Group | II |
| Hazard Class | 6.1 |
| HS Code | 29124900 |
Customs
| HS Code | 2912499000 |
|---|---|
| Summary | 2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0% |
Articles17
More Articles| Identification and structure elucidation of a p-phenoxybenzaldehyde in bamboo shoots by HPLC-ESI/MS/MS and NMR. J. Agric. Food Chem. 59(21) , 11579-84, (2011) In this study, a derivative of p-phenoxybenzaldehyde in bamboo shoots was investigated. Bamboo shoots were ground and extracted with water, and an aqueous suspension was purified by SPE using Oasis HL... | |
| Perturbation of rat heart plasma membrane fluidity due to metabolites of permethrin insecticide. Cardiovasc. Toxicol. 11(3) , 226-34, (2011) Due to increased global use, acute and chronic exposures to pyrethroid insecticides in humans are of clinical concern. Pyrethroids have a primary mode of action that involves interference with the sod... | |
| Degradation of 3-phenoxybenzoic acid by a Bacillus sp. PLoS ONE 7(11) , e50456, (2012) 3-Phenoxybenzoic acid (3-PBA) is of great environmental concern with regards to endocrine disrupting activity and widespread occurrence in water and soil, yet little is known about microbial degradati... |
Synonyms
| 3-Phenoxybenzaldehyde |
| 3-Formyldiphenyl Ether |
| 3-Phenoxybenzolcarbaldehyd |
| Benzaldehyde, 3-phenoxy- |
| MFCD00003353 |
| EINECS 254-487-1 |
