Introduction：Basic information about CAS 4619-66-3|Methyl diacetoacetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl diacetoacetate |
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| CAS Number | 4619-66-3 | Molecular Weight | 188.22100 |
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| Density | 1.112g/cm3 | Boiling Point | 209ºC at 760 mmHg |
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| Molecular Formula | C9H16O4 | Melting Point | / |
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| MSDS | / | Flash Point | 82.4ºC |
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Names
| Name | methyl 2-acetyl-3-oxobutanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.112g/cm3 |
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| Boiling Point | 209ºC at 760 mmHg |
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| Molecular Formula | C9H16O4 |
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| Molecular Weight | 188.22100 |
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| Flash Point | 82.4ºC |
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| Exact Mass | 188.10500 |
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| PSA | 60.44000 |
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| LogP | 1.12390 |
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| Index of Refraction | 1.423 |
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| InChIKey | UHCPCQYUMVLUKU-UHFFFAOYSA-N |
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| SMILES | COC(=O)C(C(C)=O)C(C)=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AK4900000
- CHEMICAL NAME :
- Acetoacetic acid, 2-acetyl-, methyl ester
- CAS REGISTRY NUMBER :
- 4619-66-3
- BEILSTEIN REFERENCE NO. :
- 1706278
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H10-O4
- MOLECULAR WEIGHT :
- 158.17
- WISWESSER LINE NOTATION :
- 1VYV1&VO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,729,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948
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Safety Information
Customs
| HS Code | 2918300090 |
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| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| Diacetessigsaeure-methylester |
| ACETOACETIC ACID,2-ACETYL-,METHYL ESTER |
| Methyl 2-acetylacetoacetate |
| 2-Acetyl-3-oxo-buttersaeure-methylester |
| 2-acetyl-3-oxo-butyric acid methyl ester |
| Methyl diacetoacetate |
| EINECS 225-031-9 |
| diacetoacetic acid methyl ester |
| Methyl diacetylacetate |
