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| IUPAC name : | 2-methyl-1-phenylpropan-2-ol |
| InChI : | InChI=1/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3 |
| InChIKey : | RIWRBSMFKVOJMN-UHFFFAOYAK |
| SMILES : | CC(C)(CC1=CC=CC=C1)O |
| (EINECS) number : | 202-896-0 |
| cas number : | 100-86-7 |
| beilstein number : | 1855608 |
| fema number : | 2393 |
| coe number : | 84 |
| jecfa number : | 1653 |
| fl. number : | 02.035 |
| molar refractivity : | 46.56 ± 0.3 cm3 |
| parachor : | 375.2 ± 4.0 cm3 |
| index of refraction : | 1.521 ± 0.02 |
| surface tension : | 36.3 ± 3.0 dyne/cm |
| density : | 0.982 ± 0.06 g/cm3 |
| polarizability : | 18.46 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 150.2175600 |
| formula : | C10 H14 O |
| BioActivity Analysis : | 71375 |
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| export tariff code : | 2906.29.0000 |
| fda reg : | unspecified |
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Suppliers :
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| International Flavors & Fragrances : | Dimethyl Benzyl Carbinol
≥97% (major peak) |
| Sigma-Aldrich-SAFC : | 2-Methyl-1-phenyl-2-propanol
98% |
organoleptics :
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| odor type : | floral |
| odor strength : | low |
odor description :¹ : at 100.00 %. | clean floral green rose cortex oily rhubarb |
| substantivity : | 6 hour(s) at 100.00 % |
properties :
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| appearence : | colorless to pale yellow clear liquid to solid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97300 to 0.97600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.096 to 8.121
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| refractive index : | 1.51200 to 1.51800 @ 20.00 °C.
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| melting point : | 23.00 to 24.00 °C. @ 760.00 mm Hg
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| boiling point : | 215.00 °C. @ 760.00 mm Hg
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| boiling point : | 108.00 °C. @ 11.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.44 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : |
Xi - Irritant |
| Oral Toxicity(LD50) : |
Oral-Rat 1280.00 mg/kg FCTXAV 2,327,1964
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 12,531,1974
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| flash point ( Deg. F. ) : | 182.00 °F. TCC ( 83.33 °C. )
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| recommendation for dimethyl benzyl carbinol usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for dimethyl benzyl carbinol usage levels up to : |
| | 5.0000 ppm in the flavor.
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safety references :
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| msds : | msds |
| EPI System : | view |
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| | 2-methyl-1-phenylpropan-2-ol
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| (EINECS) number : | 202-896-0 |
| RTECS : | SG8050000 for 100-86-7 |
| chemidplus : | 000100867 |
| EPA Substance Registry Services : | 100-86-7 |
| NLM Chemical Carcinogenesis Research Information System : | 100-86-7 |
| NLM Developmental and Reproductive Toxicity : | 100-86-7 |
| NLM Env. Mutagen Info. Center : | 100-86-7 |
| NLM GENetic TOXicology : | 100-86-7 |
| dtp/nci : | 5236 |
references :
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| | 2-methyl-1-phenylpropan-2-ol
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| jecfa number : | 1653 |
| fl. number : | 02.035 |
| pubchem : | 150609 |
| NIST Chemistry WebBook : | 2602902634 |
| reference : | Luebke, William tgsc, (2007)¹ |
other :
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| | C of A |