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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | methyl butanoate |
| InChI : | InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3 |
| InChIKey : | UUIQMZJEGPQKFD-UHFFFAOYAW |
| SMILES : | CCCC(=O)OC |
| (EINECS) number : | 210-792-1 |
| cas number : | 623-42-7 |
| beilstein number : | 1740743 |
| fema number : | 2693 |
| coe number : | 263 |
| jecfa number : | 149 |
| fl. number : | 09.038 |
| molar refractivity : | 26.98 ± 0.3 cm3 |
| parachor : | 255.8 ± 4.0 cm3 |
| index of refraction : | 1.387 ± 0.02 |
| surface tension : | 24.8 ± 3.0 dyne/cm |
| density : | 0.891 ± 0.06 g/cm3 |
| polarizability : | 10.69 ± 0.5 10-24cm3 |
| xlogp : | 1.10 |
| molecular weight : | 102.1317000 |
| formula : | C5 H10 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | fruity apple sweet banana pineapple |
| taste description³ : | at 10.00 ppm. Impacting, fusel, fruity and estry with a cultured dairy, acidic depth |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89300 - 0.89900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.431 to 7.481
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| refractive index : | 1.38500 - 1.39000 @ 20.00 °C.
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| boiling point : | 102.00 - 103.00 °C. @ 760.00 mm Hg
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| boiling point : | 33.00 - 34.00 °C. @ 50.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 1.29 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 3560.00 mg/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 220.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 53.00 °F. TCC ( 11.67 °C. )
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| recommendation for methyl butyrate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for methyl butyrate usage levels up to : |
| | 200.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 210-792-1 |
| rtecs : | ET5500000 for 623-42-7 |
| chemidplus : | 000623427 |
| epa-srs : | 623-42-7 |
| dtp/nci : | 9380 |
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| other : | |
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| references : | |
| pubchem : | 155499 |
| NIST Chemistry WebBook : | 1869026935 |
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| reference : | Mosciano, Gerard P&F 23, No. 1, 33, (1998)³ |