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| IUPAC name : | 2-(phenylmethylidene)hexanal |
| InChI : | InChI=1/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3 |
| InChIKey : | GFBCBQNBXRPRQD-UHFFFAOYAN |
| SMILES : | CCCCC(=CC1=CC=CC=C1)C=O |
| (EINECS) number : | 231-320-0 |
| cas number : | 7492-44-6 |
| fema number : | 2191 |
| coe number : | 127 |
| jecfa number : | 684 |
| fl. number : | 05.039 |
| molar refractivity : | 60.70 ± 0.3 cm3 |
| parachor : | 474.4 ± 4.0 cm3 |
| index of refraction : | 1.539 ± 0.02 |
| surface tension : | 36.0 ± 3.0 dyne/cm |
| density : | 0.972 ± 0.06 g/cm3 |
| polarizability : | 24.06 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 188.2655400 |
| formula : | C13 H16 O |
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| IUPAC name : | (2E)-2-(phenylmethylidene)hexanal |
| InChI : | InChI=1/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10+ |
| InChIKey : | GFBCBQNBXRPRQD-JLHYYAGUBZ |
| SMILES : | CCCC/C(=C\C1=CC=CC=C1)/C=O |
| cas number : | 7492-44-6 |
| beilstein number : | 3241532 |
| molar refractivity : | 60.70 ± 0.3 cm3 |
| parachor : | 474.4 ± 4.0 cm3 |
| index of refraction : | 1.539 ± 0.02 |
| surface tension : | 36.0 ± 3.0 dyne/cm |
| density : | 0.972 ± 0.06 g/cm3 |
| polarizability : | 24.06 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 188.2655400 |
| formula : | C13 H16 O |
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| IUPAC name : | (2Z)-2-(phenylmethylidene)hexanal |
| InChI : | InChI=1/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10- |
| InChIKey : | GFBCBQNBXRPRQD-RAXLEYEMBV |
| SMILES : | CCCCC(/C=O)=C/c1ccccc1 |
| cas number : | 7492-44-6 |
| molar refractivity : | 60.70 ± 0.3 cm3 |
| parachor : | 474.4 ± 4.0 cm3 |
| index of refraction : | 1.539 ± 0.02 |
| surface tension : | 36.0 ± 3.0 dyne/cm |
| density : | 0.972 ± 0.06 g/cm3 |
| polarizability : | 24.06 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 188.2655400 |
| formula : | C13 H16 O |
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| fda reg : | 172.515 |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | floral green jasmin lily herbal |
| properties : | |
| appearence : | pale yellow to yellow clear oily liquid |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97500 - 0.99000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.113 to 8.238
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| refractive index : | 1.56300 - 1.56900 @ 20.00 °C.
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| boiling point : | 265.00 °C. @ 760.00 mm Hg
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| boiling point : | 144.00 °C. @ 3.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 4.27 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 4400.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for alpha-butyl cinnamaldehyde usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for alpha-butyl cinnamaldehyde usage levels up to : |
| | 8.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-320-0 |
| chemidplus : | 7492-44-6 |
| epa-srs : | 7492-44-6 |
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| chemidplus : | 007492446 |
| epa-srs : | 7492-44-6 |
| dtp/nci : | 406674 |
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| chemidplus : | 7492-44-6 |
| epa-srs : | 7492-44-6 |
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| other : | |
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| references : | |
| jecfa number : | 684 |
| fl. number : | 05.039 |
| pubchem : | 29291202 |
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| pubchem : | 166634 |
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| pubchem : | 7492-44-6 |
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