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| IUPAC name : | 2-methylbutyl 2-methylbutanoate |
| InChI : | InChI=1/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey : | PVYFCGRBIREQLL-UHFFFAOYAL |
| SMILES : | CCC(C)COC(=O)C(C)CC |
| (EINECS) number : | 219-497-2 |
| cas number : | 2445-78-5 |
| fema number : | 3359 |
| coe number : | 10773 |
| jecfa number : | 212 |
| fl. number : | 09.516 |
| molar refractivity : | 50.06 ± 0.3 cm3 |
| parachor : | 449.5 ± 4.0 cm3 |
| index of refraction : | 1.420 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.870 ± 0.06 g/cm3 |
| polarizability : | 19.84 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
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| fda reg : | unspecified |
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. | sweet fruity ester berry green waxy apple |
| taste description³ : | at 30.00 ppm. Sweet, fruity, pineapple character with green, waxy and woody nuances |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84700 - 0.85600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.048 to 7.123
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| refractive index : | 1.40100 - 1.42000 @ 20.00 °C.
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| boiling point : | 70.00 - 72.00 °C. @ 11.00 mm Hg
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| boiling point : | 184.00 - 187.00 °C. @ 760.00 mm Hg
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| logp : | 3.53 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 3.60 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 153.00 °F. TCC ( 67.22 °C. )
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| recommendation for 2-methyl butyl 2-methyl butyrate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for 2-methyl butyl 2-methyl butyrate usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 219-497-2 |
| chemidplus : | 002445785 |
| epa-srs : | 2445-78-5 |
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| other : | |
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| references : | |
| jecfa number : | 212 |
| fl. number : | 09.516 |
| pubchem : | 160323 |
| NIST Chemistry WebBook : | 3891878471 |
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| reference : | Mosciano, Gerard P&F 15, No. 3, 51, (1990)³ |