Introduction：Basic information about CAS 776-99-8|3,4-Dimethoxyphenylacetone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,4-Dimethoxyphenylacetone |
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| CAS Number | 776-99-8 | Molecular Weight | 194.227 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 281.8±25.0 °C at 760 mmHg |
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| Molecular Formula | C11H14O3 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 115.0±9.6 °C |
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Names
| Name | (3,4-Dimethoxyphenyl)acetone |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 281.8±25.0 °C at 760 mmHg |
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| Molecular Formula | C11H14O3 |
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| Molecular Weight | 194.227 |
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| Flash Point | 115.0±9.6 °C |
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| Exact Mass | 194.094299 |
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| PSA | 35.53000 |
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| LogP | 1.18 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.497 |
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| InChIKey | UMYZWICEDUEWIM-UHFFFAOYSA-N |
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| SMILES | COc1ccc(CC(C)=O)cc1OC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UC1795500
- CHEMICAL NAME :
- 2-Propanone, 1-(3,4-dimethoxyphenyl)-
- CAS REGISTRY NUMBER :
- 776-99-8
- BEILSTEIN REFERENCE NO. :
- 1107410
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H14-O3
- MOLECULAR WEIGHT :
- 194.25
- WISWESSER LINE NOTATION :
- 1V1R CO1 DO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 670 mg/kg
- TOXIC EFFECTS :
- Behavioral - ataxia
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 60,799,1971
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves |
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| Hazard Codes | Xi |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | UC1795500 |
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| HS Code | 2914509090 |
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Customs
| HS Code | 2914509090 |
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| Summary | HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
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Articles2
More Articles
| Asymmetric strecker synthesis of alpha-amino acids via a crystallization-induced asymmetric transformation using (R)-phenylglycine amide as chiral auxiliary. Org. Lett. 3(8) , 1121-4, (2001) [reaction: see text]. Diastereoselective Strecker reactions based on (R)-phenylglycine amide as chiral auxiliary are reported. The Strecker reaction is accompanied by an in situ crystallization-induce... | |
| Asymmetric amination of 4-methoxyphenylacetone and its related compounds with microorganisms. Nakamichi K, et al. Appl. Microbiol. Biotechnol. 33(6) , 637-640, (1990)
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Synonyms
| 1-(3,4-Dimethoxyphenyl)acetone |
| 2-Propanone, 1-(3,4-dimethoxyphenyl)- |
| 1-(3,4-dimethoxyphenyl)propan-2-one |
| 3,4-Dimethoxyphenylacetone |
| MFCD00008772 |
| EINECS 212-285-0 |
