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| IUPAC name : | 3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| InChI : | InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3 |
| InChIKey : | FQTLCLSUCSAZDY-UHFFFAOYAZ |
| SMILES : | CC(=CCCC(=CCCC(C)(C=C)O)C)C |
| (EINECS) number : | 230-597-5 |
| cas number : | 7212-44-4 |
| beilstein number : | 1724135 |
| fema number : | 2772 |
| coe number : | 67 |
| jecfa number : | 1646 |
| fl. number : | 02.018 |
| molar refractivity : | 72.56 ± 0.3 cm3 |
| parachor : | 596.5 ± 4.0 cm3 |
| index of refraction : | 1.479 ± 0.02 |
| surface tension : | 29.6 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 28.76 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 222.3663400 |
| formula : | C15 H26 O |
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| IUPAC name : | (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| InChI : | InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+ |
| InChIKey : | FQTLCLSUCSAZDY-SDNWHVSQBS |
| SMILES : | CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C |
| (EINECS) number : | 255-053-4 |
| cas number : | 40716-66-3 |
| coe number : | 67 |
| fl. number : | 02.232 |
| molar refractivity : | 72.56 ± 0.3 cm3 |
| parachor : | 596.5 ± 4.0 cm3 |
| index of refraction : | 1.479 ± 0.02 |
| surface tension : | 29.6 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 28.76 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 222.3663400 |
| formula : | C15 H26 O |
| BioActivity Analysis : | 48415439 |
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| IUPAC name : | (6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| InChI : | InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11- |
| InChIKey : | FQTLCLSUCSAZDY-KAMYIIQDBZ |
| SMILES : | CC(=CCC/C(=C\CCC(C)(C=C)O)/C)C |
| (EINECS) number : | 223-263-5 |
| cas number : | 3790-78-1 |
| molar refractivity : | 72.56 ± 0.3 cm3 |
| parachor : | 596.5 ± 4.0 cm3 |
| index of refraction : | 1.479 ± 0.02 |
| surface tension : | 29.6 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 28.76 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 222.3663400 |
| formula : | C15 H26 O |
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| fda reg : | 172.515 |
h. number : | 2905.22.5050 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | low |
odor description :
at 100.00 %. | floral green citrus woody waxy |
| taste description³ : | at 25.00 ppm.
Green, fioral, woody with fruity-citrus and melon nuances |
| substantivity : | 100 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 90.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.87700 - 0.87800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.298 to 7.306
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| refractive index : | 1.48000 - 1.48200 @ 20.00 °C.
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| boiling point : | 114.00 °C. @ 1.00 mm Hg
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| boiling point : | 89.00 - 100.00 °C. @ 0.30 mm Hg
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| logp : | 5.32 |
| 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 : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg #5116602
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 13,887,1975
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| flash point ( Deg. F. ) : | 205.00 °F. TCC ( 96.11 °C. )
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| recommendation for nerolidol usage levels up to : |
| | 15.0000 % in the fragrance concentrate.
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| recommendation for nerolidol usage levels up to : |
| | 8.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 230-597-5 |
| rtecs : | JR4977000 for 7212-44-4 |
| chemidplus : | 000142507 |
| epa-srs : | 7212-44-4 |
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| (EINECS) number : | 255-053-4 |
| chemidplus : | 040716663 |
| epa-srs : | 40716-66-3 |
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| (EINECS) number : | 223-263-5 |
| chemidplus : | 003790781 |
| epa-srs : | 3790-78-1 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 152040 |
| NIST Chemistry WebBook : | 500370147 |
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| pubchem : | 669189 |
| NIST Chemistry WebBook : | 3604548068 |
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| pubchem : | 684690 |
| NIST Chemistry WebBook : | 1538953710 |
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| reference : | Mosciano, Gerard P&F 16, No. 3, 79, (1991)³ |