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| IUPAC name : | (4-propan-2-ylcyclohexyl)methanol |
| InChI : | InChI=1/C10H20O/c1-8(2)10-5-3-9(7-11)4-6-10/h8-11H,3-7H2,1-2H3 |
| InChIKey : | KHWTYGFHPHRQMP-UHFFFAOYAR |
| SMILES : | CC(C)C1CCC(CC1)CO |
| cas number : | 5502-75-0 |
| fema number : | 4507 |
| molar refractivity : | 47.76 ± 0.3 cm3 |
| parachor : | 411.8 ± 6.0 cm3 |
| index of refraction : | 1.451 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.882 ± 0.06 g/cm3 |
| polarizability : | 18.93 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 156.2652000 |
| formula : | C10 H20 O |
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| IUPAC name : | (Z)-(4-propan-2-ylcyclohexyl)methanol |
| InChI : | InChI=1/C10H20O/c1-8(2)10-5-3-9(7-11)4-6-10/h8-11H,3-7H2,1-2H3/t9-,10+ |
| InChIKey : | KHWTYGFHPHRQMP-AOOOYVTPBP |
| SMILES : | CC(C)[C@H]1CC[C@@H](CO)CC1 |
| (EINECS) number : | 237-539-8 |
| cas number : | 13828-37-0 |
| fema number : | 4507 |
| molar refractivity : | 47.76 ± 0.3 cm3 |
| parachor : | 411.8 ± 6.0 cm3 |
| index of refraction : | 1.451 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.882 ± 0.06 g/cm3 |
| polarizability : | 18.93 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 156.2652000 |
| formula : | C10 H20 O |
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| IUPAC name : | (E)-(4-propan-2-ylcyclohexyl)methanol |
| InChI : | InChI=1/C10H20O/c1-8(2)10-5-3-9(7-11)4-6-10/h8-11H,3-7H2,1-2H3/t9-,10- |
| InChIKey : | KHWTYGFHPHRQMP-MGCOHNPYBX |
| SMILES : | OC[C@@H]1CC[C@@H](C(C)C)CC1 |
| cas number : | 13674-19-6 |
| fema number : | 4507 |
| molar refractivity : | 47.76 ± 0.3 cm3 |
| parachor : | 411.8 ± 6.0 cm3 |
| index of refraction : | 1.451 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.882 ± 0.06 g/cm3 |
| polarizability : | 18.93 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 156.2652000 |
| formula : | C10 H20 O |
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| export tariff code : | 2906.19.0000 |
| fda reg : | unspecified |
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Suppliers :
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| Firmenich : | MAYOL®
≥98% |
| International Flavors & Fragrances : | Meijiff™
≥98% (sum of isomers) |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description :¹ : at 100.00 %. | fresh clean floral magnolia hydroxycitronellal cumin grassy |
| substantivity : | 72 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91200 to 0.92000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.589 to 7.655
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| refractive index : | 1.46700 to 1.47100 @ 20.00 °C.
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.24 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 201.00 °F. TCC ( 93.89 °C. )
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| recommendation for muguet shiseol usage levels up to : |
| | 20.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | (4-propan-2-ylcyclohexyl)methanol
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| chemidplus : | 013828370 |
| EPA Substance Registry Services : | 5502-75-0 |
| NLM Chemical Carcinogenesis Research Information System : | 5502-75-0 |
| NLM Developmental and Reproductive Toxicity : | 5502-75-0 |
| NLM Env. Mutagen Info. Center : | 5502-75-0 |
| NLM GENetic TOXicology : | 5502-75-0 |
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| | (Z)-(4-propan-2-ylcyclohexyl)methanol
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| (EINECS) number : | 237-539-8 |
| chemidplus : | 13828-37-0 |
| EPA Substance Registry Services : | 13828-37-0 |
| NLM Chemical Carcinogenesis Research Information System : | 13828-37-0 |
| NLM Developmental and Reproductive Toxicity : | 13828-37-0 |
| NLM Env. Mutagen Info. Center : | 13828-37-0 |
| NLM GENetic TOXicology : | 13828-37-0 |
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| | (E)-(4-propan-2-ylcyclohexyl)methanol
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| chemidplus : | 13674-19-6 |
| EPA Substance Registry Services : | 13674-19-6 |
| NLM Chemical Carcinogenesis Research Information System : | 13674-19-6 |
| NLM Developmental and Reproductive Toxicity : | 13674-19-6 |
| NLM Env. Mutagen Info. Center : | 13674-19-6 |
| NLM GENetic TOXicology : | 13674-19-6 |
references :
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| | (4-propan-2-ylcyclohexyl)methanol
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| pubchem : | 44415430 |
| | (Z)-(4-propan-2-ylcyclohexyl)methanol
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| pubchem : | 660674 |
| | (E)-(4-propan-2-ylcyclohexyl)methanol
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| pubchem : | 10376126 |
| reference : | Luebke, William tgsc, (1995)¹ |
other :
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