(E,Z)-alloocimene
flavor and fragrance agents
| 2D: |
 |
| 3D: |
|
| CAS Number: |
7216-56-0
|
| ECHA EC Number: |
230-603-6 |
| FDA UNII: |
7E8T33HY3A |
| Category: |
flavor and fragrance agents |
| IUPAC Name: |
(E,Z)-alloocimene |
| InChI : |
InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5- |
| Std.InChI: |
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5- |
| InChIKey : |
GQVMHMFBVWSSPF-DAIHKBMKBW |
| Std.InChIKey: |
GQVMHMFBVWSSPF-DAIHKBMKSA-N |
| SMILES : |
C/C=C(/C)\C=C\C=C(C)C |
| MDL: |
MFCD00009278 |
| Molar Refractivity : |
48.23 ± 0.3 cm3 (est) |
| Parachor : |
384.0 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.466 ± 0.02 (est) |
| Surface Tension : |
23.6 ± 3.0 dyne/cm (est) |
| Density : |
0.872 ± 0.06 g/cm3 (est) |
| Polarizability : |
19.12 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | pale yellow to yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 188.00 to 189.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.816000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 125.00 °F. TCC ( 51.80 °C. ) (est) |
| logP (o/w): | 4.556 (est) |
| Soluble in: |
| | alcohol |
| | water, 2.348 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
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:
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| (E,Z)-2,6- | dimethyl octa-2,4,6-triene |
| (4E,6Z)-2,6- | dimethyl-2,4,6-octatriene |
| (4E,6Z)-2,6- | dimethylocta-2,4,6-triene |
| (E,Z)-2,6- | dimethylocta-2,4,6-triene |
| 2,4,6- | octatriene, 2,6-dimethyl-, (E,Z)- |
