methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate
natural substances and extractives
| 2D: |
 |
| 3D: |
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| CAS Number: |
201996-40-9
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| FDA UNII: |
Search |
| Category: |
natural substances and extractives |
| IUPAC Name: |
methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate |
| InChI : |
InChI=1/C15H18O3/c1-13(7-4-5-12-16)8-6-9-14(2)10-11-15(17)18-3/h4-12H,1-3H3/b5-4+,8-6+,11-10+,13-7+,14-9+ |
| Std.InChI: |
InChI=1S/C15H18O3/c1-13(7-4-5-12-16)8-6-9-14(2)10-11-15(17)18-3/h4-12H,1-3H3/b5-4+,8-6+,11-10+,13-7+,14-9+ |
| InChIKey : |
MDXPQYRVTKKYEX-BWKOTIHCBA |
| Std.InChIKey: |
MDXPQYRVTKKYEX-BWKOTIHCSA-N |
| SMILES : |
C/C(=C\C=C\C=O)/C=C/C=C(\C)/C=C/C(=O)OC |
| Molar Refractivity : |
73.47 ± 0.3 cm3 (est) |
| Parachor : |
590.9 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.512 ± 0.02
(est) |
| Surface Tension : |
34.0 ± 3.0 dyne/cm (est) |
| Density : |
1.006 ± 0.06 g/cm3 (est) |
| Polarizability : |
29.12 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: |
| | water, 13.71 mg/L @ 25 °C (est) |
Safety Information:
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
| Not determined |
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
| Category: |
| natural substances and extractives |
| Recommendation for methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate |
