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| IUPAC name : | 4-methylpentan-2-ol |
| InChI : | InChI=1/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3 |
| InChIKey : | WVYWICLMDOOCFB-UHFFFAOYAI |
| SMILES : | CC(C)CC(C)O |
| (EINECS) number : | 203-551-7 |
| eu annex : | 603-008-00-8 |
| cas number : | 108-11-2 |
| beilstein number : | 1098268 |
| coe number : | 10279 |
| fl. number : | 02.183 |
| molar refractivity : | 31.29 ± 0.3 cm3 |
| parachor : | 282.3 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 25.3 ± 3.0 dyne/cm |
| density : | 0.811 ± 0.06 g/cm3 |
| polarizability : | 12.40 ± 0.5 10-24cm3 |
| xlogp : | 1.80 |
| molecular weight : | 102.1747600 |
| formula : | C6 H14 O |
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| IUPAC name : | (2R)-4-methylpentan-2-ol |
| InChI : | InChI=1/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1 |
| InChIKey : | WVYWICLMDOOCFB-ZCFIWIBFBH |
| SMILES : | CC(C)C[C@@H](C)O |
| eu annex : | 603-008-00-8 |
| cas number : | 16404-54-9 |
| molar refractivity : | 31.29 ± 0.3 cm3 |
| parachor : | 282.3 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 25.3 ± 3.0 dyne/cm |
| density : | 0.811 ± 0.06 g/cm3 |
| polarizability : | 12.40 ± 0.5 10-24cm3 |
| xlogp : | 1.80 |
| molecular weight : | 102.1747600 |
| formula : | C6 H14 O |
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| IUPAC name : | (2S)-4-methylpentan-2-ol |
| InChI : | InChI=1/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m0/s1 |
| InChIKey : | WVYWICLMDOOCFB-LURJTMIEBF |
| SMILES : | CC(C)C[C@H](C)O |
| eu annex : | 603-008-00-8 |
| cas number : | 14898-80-7 |
| molar refractivity : | 31.29 ± 0.3 cm3 |
| parachor : | 282.3 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 25.3 ± 3.0 dyne/cm |
| density : | 0.811 ± 0.06 g/cm3 |
| polarizability : | 12.40 ± 0.5 10-24cm3 |
| xlogp : | 1.80 |
| molecular weight : | 102.1747600 |
| formula : | C6 H14 O |
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| fda reg : | unspecified |
h. number : | 2905.19.0020 |
| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | pungent alcohol |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.80200 - 0.80800 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.673 to 6.723
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| refractive index : | 1.40700 - 1.41400 @ 20.00 °C.
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| boiling point : | 131.00 - 133.00 °C. @ 760.00 mm Hg
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| logp : | 1.43 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 2590.00 mg/kg (Smyth et al., 1951)
Oral-Mouse 1500.00 mg/kg (McOmie & Anderson, 1949a)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 3560.00 ul/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 0.0012 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 3724 (μg/person/day) |
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| flash point ( Deg. F. ) : | 106.00 °F. TCC ( 41.11 °C. )
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| recommendation for 4-methyl-2-pentanol usage levels up to : |
| | not for fragrance use.
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| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a) |
| | Normal Use Level (mg/kg) | Maximum Use Level (mg/kg) |
| Dairy products, excluding products of category 02.0 (01.0) : | 7.00000 | 35.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) : | 5.00000 | 25.00000 |
| Edible ices, including sherbet and sorbet (03.0) : | 10.00000 | 50.00000 |
| Processed fruit (04.1) : | 7.00000 | 35.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : | - | - |
| Confectionery (05.0) : | 10.00000 | 50.00000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : | 5.00000 | 25.00000 |
| Bakery wares (07.0) : | 10.00000 | 50.00000 |
| Meat and meat products, including poultry and game (08.0) : | 2.00000 | 10.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : | 2.00000 | 10.00000 |
| Eggs and egg products (10.0) : | - | - |
| Sweeteners, including honey (11.0) : | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : | 5.00000 | 25.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) : | 10.00000 | 50.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : | 5.00000 | 25.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : | - | - |
| Ready-to-eat savouries (15.0) : | 20.00000 | 100.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : | 5.00000 | 25.00000 |
| safety links : | |
| (EINECS) number : | 203-551-7 |
| rtecs : | SA7350000 for 108-11-2 |
| chemidplus : | 000108112 |
| epa-srs : | 108-11-2 |
| dtp/nci : | 9384 |
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| chemidplus : | 16404-54-9 |
| epa-srs : | 16404-54-9 |
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| chemidplus : | 14898-80-7 |
| epa-srs : | 14898-80-7 |
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| other : | |
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| references : | |
| pubchem : | 151019 |
| NIST Chemistry WebBook : | 3746992524 |
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| pubchem : | 43601597 |
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| pubchem : | 43596714 |
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