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| IUPAC name : | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene |
| InChI : | InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ |
| InChIKey : | YYGNTYWPHWGJRM-FLHYQJCXBN |
| SMILES : | CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)/C)/C)C |
| (EINECS) number : | 203-826-1 |
| cas number : | 111-02-4 |
| beilstein number : | 1728919 |
| molar refractivity : | 140.43 ± 0.3 cm3 |
| parachor : | 1126.0 ± 4.0 cm3 |
| index of refraction : | 1.491 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.848 ± 0.06 g/cm3 |
| polarizability : | 55.67 ± 0.5 10-24cm3 |
| xlogp : | 8.30 |
| molecular weight : | 410.7180000 |
| formula : | C30 H50 |
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| export tariff code : | 2901.29.5000 |
| fda reg : | unspecified |
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organoleptics :
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odor description : at 100.00 %. | floral |
properties :
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| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85800 @ 25.00 °C.
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| boiling point : | 429.00 to 430.00 °C. @ 760.00 mm Hg
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| boiling point : | 285.00 °C. @ 25.00 mm Hg
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| logp : | 14.12 |
safety :
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| Oral Toxicity(LD50) : |
Oral-Mouse 5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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safety references :
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| EPI System : | view |
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| | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
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| (EINECS) number : | 203-826-1 |
| RTECS : | XB6010000 for 111-02-4 |
| chemidplus : | 000111024 |
| EPA Substance Registry Services : | 111-02-4 |
| NLM Chemical Carcinogenesis Research Information System : | 111-02-4 |
| NLM Developmental and Reproductive Toxicity : | 111-02-4 |
| NLM Env. Mutagen Info. Center : | 111-02-4 |
| NLM GENetic TOXicology : | 111-02-4 |
references :
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| | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
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| pubchem : | 151213 |
| NIST Chemistry WebBook : | 3462159090 |
other :
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synonyms :
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| (6Z,10E,14E,18E)- 2,6,10,15,19,23- | hexamethyl tetracosa-2,6,10,14,18,22-hexaene | | (all-E)- 2,6,10,15,19,23- | hexamethyl tetracosa-2,6,10,14,18,22-hexaene | | (all-E)- | spinacene | | (E,E,E,E)- | squalene | | (E)- | squalene |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
(odor and/or flavor) used in :
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| | antistatic agents | | | emollients |
natural occurrence in :
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| cottonseed oil |
| data page | fennel absolute sweet @ 0.20% |
| rapeseed oil |
| vegetable oil |
| data page | witch hazel leaf oil @ 0.09% |
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