CAS 105-53-3|Diethyl malonate
| Common Name | Diethyl malonate | ||
|---|---|---|---|
| CAS Number | 105-53-3 | Molecular Weight | 160.168 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 199.3±0.0 °C at 760 mmHg |
| Molecular Formula | C7H12O4 | Melting Point | -50 °C |
| MSDS | ChineseUSA | Flash Point | 100.0±0.0 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | Diethyl malonate |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 199.3±0.0 °C at 760 mmHg |
| Melting Point | -50 °C |
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.168 |
| Flash Point | 100.0±0.0 °C |
| Exact Mass | 160.073563 |
| PSA | 52.60000 |
| LogP | 0.70 |
| Vapour density | 5.52 (vs air) |
| Vapour Pressure | 0.3±0.3 mmHg at 25°C |
| Index of Refraction | 1.418 |
| InChIKey | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CC(=O)OCC |
| Stability | Stable. Combustible. 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 :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,745,1976 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 14900 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 6400 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 :
- >16 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4574 No. of Facilities: 312 (estimated) No. of Industries: 7 No. of Occupations: 9 No. of Employees: 6753 (estimated) No. of Female Employees: 1766 (estimated)
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S24/25 |
| WGK Germany | 1 |
| RTECS | OO0700000 |
| HS Code | 2917190090 |
Customs
| HS Code | 2917190090 |
|---|---|
| Summary | 2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
Articles19
More Articles| Design, synthesis and structure-activity relationship studies of novel and diverse cyclooxygenase-2 inhibitors as anti-inflammatory drugs. J. Enzyme Inhib. Med. Chem. 29(6) , 846-67, (2014) Because of the pivotal role of cyclooxygenase (COX) in the inflammatory processes, non-steroidal anti-inflammatory drugs (NSAIDs) that suppress COX activities have been used clinically for the treatme... | |
| Identification of olfactory receptor neurons in Uraba lugens (Lepidoptera: Nolidae) and its implications for host range. J. Insect Physiol. 78 , 33-46, (2015) Phytophagous insects detect volatile compounds produced by host and non-host plants, using species-specific sets of olfactory receptor neurons (ORNs). To investigate the relationship between the range... | |
| Ring expansion reactions of 4-amino-1,1-dioxo-[1,2,3,5]-thiatriazoles. Org. Biomol. Chem. 5(3) , 472-7, (2007) An unusual ring-expansion reaction of 4-amino-1,1-dioxo-[1,2,3,5]-thiatriazoles has been identified that produces the relatively rare 5-amino-1,1-dioxo-[1,2,4,6]-thiatriazines and. Initial alkylation ... |
Synonyms
| UNII-53A58PA183 |
| diethyl propanedioate |
| Propanedioic acid, diethyl ester |
| MFCD00009195 |
| Diethyl Malonate |
| Ethyl Malonate |
| Malonic acid diethyl ester |
| EINECS 203-305-9 |
