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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | hept-2-enal |
| InChI : | InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3 |
| InChIKey : | NDFKTBCGKNOHPJ-UHFFFAOYAS |
| SMILES : | CCCCC=CC=O |
| (EINECS) number : | 219-563-0 |
| cas number : | 2463-63-0 |
| beilstein number : | 1745160 |
| fema number : | 3165 |
| coe number : | 730 |
| fl. number : | 05.070 |
| molar refractivity : | 34.72 ± 0.3 cm3 |
| parachor : | 306.7 ± 4.0 cm3 |
| index of refraction : | 1.427 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.830 ± 0.06 g/cm3 |
| polarizability : | 13.76 ± 0.5 10-24cm3 |
| xlogp : | 2.40 |
| molecular weight : | 112.1695800 |
| formula : | C7 H12 O |
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| export tariff code : | 2912.19.9000 |
| fda reg : | unspecified |
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organoleptics :
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| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in dipropylene glycol. | green fatty |
properties :
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| appearence : | colorless clear liquid |
| Food Chemicals Codex Listed : | No |
| boiling point : | 80.00 to 83.00 °C. @ 14.00 mm Hg
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| boiling point : | 166.00 °C. @ 760.00 mm Hg
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| logp : | 2.07 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 128.00 °F. TCC ( 53.33 °C. )
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| recommendation for 2-hepten-1-al usage levels up to : |
| | 0.0200 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | hept-2-enal
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| (EINECS) number : | 219-563-0 |
| chemidplus : | 002463630 |
| EPA Substance Registry Services : | 2463-63-0 |
| NLM Chemical Carcinogenesis Research Information System : | 2463-63-0 |
| NLM Developmental and Reproductive Toxicity : | 2463-63-0 |
| NLM Env. Mutagen Info. Center : | 2463-63-0 |
| NLM GENetic TOXicology : | 2463-63-0 |
references :
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| | hept-2-enal
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| fl. number : | 05.070 |
| pubchem : | 160358 |
| NIST Chemistry WebBook : | 734015740 |
other :
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