CAS 122-03-2|4-Isopropylbenzaldehyde
Introduction：Basic information about CAS 122-03-2|4-Isopropylbenzaldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Isopropylbenzaldehyde | ||
|---|---|---|---|
| CAS Number | 122-03-2 | Molecular Weight | 148.202 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 236.1±9.0 °C at 760 mmHg |
| Molecular Formula | C10H12O | Melting Point | 235-236ºC(lit.) |
| MSDS | ChineseUSA | Flash Point | 93.3±0.0 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | cuminaldehyde |
|---|---|
| Synonym | More Synonyms |
4-Isopropylbenzaldehyde BiologicalActivity
| Description | Cuminaldehyde is the major component of Cuminum cyminum, a natural aldehyde with inhibitory effect on alpha-synuclein fibrillation and cytotoxicity. Cuminaldehyde shows anticancer activity[1]. |
|---|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Others >>Others |
| References | [1]. Morshedi D, et al. Cuminaldehyde as the Major Component of Cuminum cyminum, a Natural Aldehyde with Inhibitory Effect on Alpha-Synuclein Fibrillation and Cytotoxicity. J Food Sci. 2015 Oct;80(10):H2336-45. |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 236.1±9.0 °C at 760 mmHg |
| Melting Point | 235-236ºC(lit.) |
| Molecular Formula | C10H12O |
| Molecular Weight | 148.202 |
| Flash Point | 93.3±0.0 °C |
| Exact Mass | 148.088821 |
| PSA | 17.07000 |
| LogP | 2.98 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.537 |
| InChIKey | WTWBUQJHJGUZCY-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccc(C=O)cc1 |
| Water Solubility | insoluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,395,1974 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1390 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Gastrointestinal - ulceration or bleeding from stomach Liver - other changes
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2400 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- BIJOAK Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1906- Volume(issue)/page/year: 34,1196,1940
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,395,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5141 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | CU7000000 |
| Packaging Group | I; II; III |
| HS Code | 2912210000 |
Customs
| HS Code | 2912299000 |
|---|---|
| Summary | 2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
Articles18
More Articles| 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorg. Med. Chem. 15 , 2006-15, (2007) Phenoloxidase (PO), also known as tyrosinase, is a key enzyme in insect development, responsible for catalyzing the hydroxylation of tyrosine into o-diphenols and the oxidation of o-diphenols into o-q... | |
| Anaerobic activation of p-cymene in denitrifying betaproteobacteria: methyl group hydroxylation versus addition to fumarate. Appl. Environ. Microbiol. 80(24) , 7592-603, (2014) The betaproteobacteria "Aromatoleum aromaticum" pCyN1 and "Thauera" sp. strain pCyN2 anaerobically degrade the plant-derived aromatic hydrocarbon p-cymene (4-isopropyltoluene) under nitrate-reducing c... | |
| Cuminaldehyde as the Major Component of Cuminum cyminum, a Natural Aldehyde with Inhibitory Effect on Alpha-Synuclein Fibrillation and Cytotoxicity. J. Food Sci. 80 , H2336-45, (2015) Fibrillation of alpha-synuclein (α-SN) is a critical process in the pathophysiology of several neurodegenerative diseases, especially Parkinson's disease. Application of bioactive inhibitory compounds... |
Synonyms
| Cuminal |
| Cuminaldehyde |
| VHR DY1&1 |
| EINECS 204-516-9 |
| 4-propan-2-ylbenzaldehyde |
| 4-Isopropylbenzaldehyde |
| 4-(Propan-2-yl)benzaldehyde |
| MFCD00006953 |
| 4-(1-Methylethyl)benzaldehyde |
| Cuminic Aldehyde |
| Benzaldehyde, 4-(1-methylethyl)- |
