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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-(dimethoxymethyl)hept-1-enylbenzene |
| InChI : | InChI=1/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3 |
| InChIKey : | QCHZKUPVENJLAW-UHFFFAOYAI |
| SMILES : | CCCCCC(=CC1=CC=CC=C1)C(OC)OC |
| (EINECS) number : | 202-104-3 |
| cas number : | 91-87-2 |
| fema number : | 2062 |
| coe number : | 47 |
| jecfa number : | 681 |
| fl. number : | 06.013 |
| molar refractivity : | 77.86 ± 0.3 cm3 |
| parachor : | 621.6 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 33.2 ± 3.0 dyne/cm |
| density : | 0.959 ± 0.06 g/cm3 |
| polarizability : | 30.86 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 248.3605600 |
| formula : | C16 H24 O2 |
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| IUPAC name : | [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene |
| InChI : | InChI=1/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+ |
| InChIKey : | QCHZKUPVENJLAW-FYWRMAATBQ |
| SMILES : | CCCCC/C(=C\C1=CC=CC=C1)/C(OC)OC |
| cas number : | 91-87-2 |
| molar refractivity : | 77.86 ± 0.3 cm3 |
| parachor : | 621.6 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 33.2 ± 3.0 dyne/cm |
| density : | 0.959 ± 0.06 g/cm3 |
| polarizability : | 30.86 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 248.3605600 |
| formula : | C16 H24 O2 |
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| IUPAC name : | [(Z)-2-(dimethoxymethyl)hept-1-enyl]benzene |
| InChI : | InChI=1/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13- |
| InChIKey : | QCHZKUPVENJLAW-SQFISAMPBH |
| SMILES : | CCCCC/C(=C/C1=CC=CC=C1)/C(OC)OC |
| cas number : | 91-87-2 |
| molar refractivity : | 77.86 ± 0.3 cm3 |
| parachor : | 621.6 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 33.2 ± 3.0 dyne/cm |
| density : | 0.959 ± 0.06 g/cm3 |
| polarizability : | 30.86 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 248.3605600 |
| formula : | C16 H24 O2 |
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| fda reg : | 172.515 |
h. number : | 2911.00.5000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | bland jasmin lily green lemon |
| substantivity : | 16 Hour(s) |
| properties : | |
| appearence : | pale yellow clear liquid |
| assay : | 96.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95300 - 0.96300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.930 to 8.013
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| specific gravity : | 0.95400 - 0.96400 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.947 to 8.031
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| refractive index : | 1.50800 - 1.51300 @ 20.00 °C.
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| boiling point : | 300.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 5.37 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 198.00 °F. TCC ( 92.22 °C. )
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| recommendation for alpha-amyl cinnamaldehyde dimethyl acetal usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for alpha-amyl cinnamaldehyde dimethyl acetal usage levels up to : |
| | 2.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 202-104-3 |
| rtecs : | GD6837500 for 91-87-2 |
| chemidplus : | 91-87-2 |
| epa-srs : | 91-87-2 |
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| chemidplus : | 000091872 |
| epa-srs : | 91-87-2 |
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| chemidplus : | 91-87-2 |
| epa-srs : | 91-87-2 |
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| other : | |
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| references : | |
| pubchem : | 43119464 |
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| pubchem : | 203619 |
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| pubchem : | 40870501 |
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