Introduction：Basic information about CAS 104-20-1|p-Methoxybenzylacetone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | p-Methoxybenzylacetone |
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| CAS Number | 104-20-1 | Molecular Weight | 178.228 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 280.3±0.0 °C at 760 mmHg |
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| Molecular Formula | C11H14O2 | Melting Point | 8 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 112.0±13.9 °C |
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Names
| Name | 4-(4-Methoxyphenyl)-2-butanone |
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| Synonym | More Synonyms |
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p-Methoxybenzylacetone BiologicalActivity
| Description | Anisylacetone (p-Methoxybenzylacetone) is a male fruit fly attractant[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Royer JE, et al. Comparative Trap Catches of Male Bactrocera, Dacus, and Zeugodacus Fruit Flies (Diptera: Tephritidae) With Four Floral Phenylbutanoid Lures (Anisyl Acetone, Cue-Lure, Raspberry Ketone, and Zingerone) in Queensland, Australia. Environ Entomol. 2020 Aug 20;49(4):815-822. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 280.3±0.0 °C at 760 mmHg |
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| Melting Point | 8 °C(lit.) |
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| Molecular Formula | C11H14O2 |
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| Molecular Weight | 178.228 |
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| Flash Point | 112.0±13.9 °C |
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| Exact Mass | 178.099380 |
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| PSA | 26.30000 |
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| LogP | 1.59 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.499 |
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| InChIKey | PCBSXBYCASFXTM-UHFFFAOYSA-N |
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| SMILES | COc1ccc(CCC(C)=O)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EL9085500
- CHEMICAL NAME :
- 2-Butanone, 4-(4-methoxyphenyl)-
- CAS REGISTRY NUMBER :
- 104-20-1
- BEILSTEIN REFERENCE NO. :
- 1869592
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C11-H14-O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/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: 12,929,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/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: 12,929,1974
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
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| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S23-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 2 |
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| RTECS | EL9085500 |
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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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Synonyms
| 4-Methoxybenzylacetone |
| 2-Butanone, 4- (p-methoxyphenyl)- |
| Anisylacetone |
| 2-Butanone, 4-(4-methoxyphenyl)- |
| EINECS 203-184-2 |
| 2-Butanone, 4- (4-methoxyphenyl)- |
| 4-(4-Methoxyphenyl)-2-butanone |
| MFCD00008791 |
| p-Methoxybenzylacetone |
| 4-(4-methoxyphenyl)butan-2-one |
