Introduction：Basic information about CAS 4435-53-4|UNII:2W0NXC23XW, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | UNII:2W0NXC23XW |
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| CAS Number | 4435-53-4 | Molecular Weight | 146.184 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 175.3±23.0 °C at 760 mmHg |
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| Molecular Formula | C7H14O3 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 55.9±14.2 °C |
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Names
| Name | Acetic Acid 3-Methoxybutyl Ester |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 175.3±23.0 °C at 760 mmHg |
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| Molecular Formula | C7H14O3 |
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| Molecular Weight | 146.184 |
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| Flash Point | 55.9±14.2 °C |
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| Exact Mass | 146.094299 |
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| PSA | 35.53000 |
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| LogP | 0.75 |
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| Vapour Pressure | 1.2±0.3 mmHg at 25°C |
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| Index of Refraction | 1.407 |
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| InChIKey | QMYGFTJCQFEDST-UHFFFAOYSA-N |
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| SMILES | COC(C)CCOC(C)=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EL4725000
- CHEMICAL NAME :
- 1-Butanol, 3-methoxy-, acetate
- CAS REGISTRY NUMBER :
- 4435-53-4
- BEILSTEIN REFERENCE NO. :
- 1749312
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H14-O3
- MOLECULAR WEIGHT :
- 146.21
- WISWESSER LINE NOTATION :
- 1VO2Y1&O1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4210 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
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Safety Information
| Hazard Codes | T+ |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | 1993 |
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| RTECS | EL4725000 |
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| Hazard Class | 9.0 |
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| HS Code | 2915390090 |
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Customs
| HS Code | 2915390090 |
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| Summary | 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| UNII:2W0NXC23XW |
| EINECS 224-644-9 |
| MFCD00043928 |
| 3-Methoxybutyl acetate |
| 1-Butanol, 3-methoxy-, acetate |
