2,4,4-trimethyl-2-pentene
natural substances and extractives
| 2D: |
 |
| 3D: |
|
| CAS Number: |
107-40-4
|
| ECHA EC Number: |
203-488-5 |
| FDA UNII: |
548R0DU21I |
| Category: |
natural substances and extractives |
| IUPAC Name: |
2,4,4-trimethyl-2-pentene |
| InChI : |
InChI=1/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3 |
| Std.InChI: |
InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3 |
| InChIKey : |
LAAVYEUJEMRIGF-UHFFFAOYAG |
| Std.InChIKey: |
LAAVYEUJEMRIGF-UHFFFAOYSA-N |
| SMILES : |
CC(=CC(C)(C)C)C |
| MDL: |
MFCD00008902 |
| Molar Refractivity : |
38.97 ± 0.3 cm3 (est) |
| Parachor : |
328.9 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.419 ± 0.02
(est) |
| Surface Tension : |
20.7 ± 3.0 dyne/cm (est) |
| Density : |
0.728 ± 0.06 g/cm3 (est) |
| Polarizability : |
15.45 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.72200 to 0.72300 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 6.015 to 6.023 |
| Refractive Index: | 1.41500 to 1.41700 @ 20.00 °C. |
| Melting Point: | -106.30 °C. @ 760.00 mm Hg (est) |
| Boiling Point: | 104.90 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 35.100000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 29.00 °F. TCC ( -1.67 °C. ) |
| logP (o/w): | 4.140 (est) |
| Soluble in: |
| | water, 11.91 mg/L @ 25 °C (est) |
Safety Information:
| Preferred SDS: View |
| |
| 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 2,4,4-trimethyl-2-pentene usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for 2,4,4-trimethyl-2-pentene flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| 2- | pentene, 2,4,4-trimethyl- |
| | propene, 1-tert-butyl-2-methyl- |
| 2,4,4- | trimethyl pent-2-ene |
| 2,4,4- | trimethylpent-2-ene |
