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| IUPAC name : | 3-(1,3-benzodioxol-5-yl)-2-methylpropanal |
| InChI : | InChI=1/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3 |
| InChIKey : | BOPPSUHPZARXTH-UHFFFAOYAR |
| SMILES : | CC(CC1=CC2=C(C=C1)OCO2)C=O |
| (EINECS) number : | 214-881-6 |
| cas number : | 1205-17-0 |
| fema number : | 4599 |
| molar refractivity : | 51.37 ± 0.3 cm3 |
| parachor : | 425.0 ± 4.0 cm3 |
| index of refraction : | 1.538 ± 0.02 |
| surface tension : | 44.9 ± 3.0 dyne/cm |
| density : | 1.171 ± 0.06 g/cm3 |
| polarizability : | 20.36 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
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| IUPAC name : | (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropanal |
| InChI : | InChI=1/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3/t8-/m1/s1 |
| InChIKey : | BOPPSUHPZARXTH-MRVPVSSYBK |
| SMILES : | C[C@H](CC1=CC2=C(C=C1)OCO2)C=O |
| cas number : | 1205-17-0 |
| molar refractivity : | 51.37 ± 0.3 cm3 |
| parachor : | 425.0 ± 4.0 cm3 |
| index of refraction : | 1.538 ± 0.02 |
| surface tension : | 44.9 ± 3.0 dyne/cm |
| density : | 1.171 ± 0.06 g/cm3 |
| polarizability : | 20.36 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
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| IUPAC name : | (2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropanal |
| InChI : | InChI=1/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1 |
| InChIKey : | BOPPSUHPZARXTH-QMMMGPOBBI |
| SMILES : | C[C@@H](CC1=CC2=C(C=C1)OCO2)C=O |
| cas number : | 1205-17-0 |
| molar refractivity : | 51.37 ± 0.3 cm3 |
| parachor : | 425.0 ± 4.0 cm3 |
| index of refraction : | 1.538 ± 0.02 |
| surface tension : | 44.9 ± 3.0 dyne/cm |
| density : | 1.171 ± 0.06 g/cm3 |
| polarizability : | 20.36 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 192.2111800 |
| formula : | C11 H12 O3 |
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| fda reg : | unspecified |
h. number : | 2912.49.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | watery fresh green ozone cyclamen hay |
| substantivity : | 64 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.15800 - 1.16600 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.636 to 9.702
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| specific gravity : | 1.15900 - 1.16700 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.655 to 9.722
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| refractive index : | 1.53100 - 1.53600 @ 20.00 °C.
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| boiling point : | 282.00 - 284.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 2.25 |
| 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. store under nitrogen. |
| safety : | |
| most important hazard(s) : |
Xi N - Irritant, Dangerous for the environment. |
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| Oral Toxicity(LD50) : |
Oral-Rat 3600.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >2000.00 mg/kg
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for ocean propanal usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 214-881-6 |
| chemidplus : | 001205170 |
| epa-srs : | 1205-17-0 |
| dtp/nci : | 22282 |
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| chemidplus : | 1205-17-0 |
| epa-srs : | 1205-17-0 |
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| chemidplus : | 1205-17-0 |
| epa-srs : | 1205-17-0 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 206750 |
| NIST Chemistry WebBook : | 3464783044 |
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| pubchem : | 39415541 |
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| pubchem : | 45160950 |
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