butyl 2-ethyl hexanoate
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
|
| CAS Number: |
68443-63-0
|
| ECHA EC Number: |
270-543-8 |
| FDA UNII: |
Search |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
butyl 2-ethyl hexanoate |
| InChI : |
InChI=1/C12H24O2/c1-4-7-9-11(6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3 |
| Std.InChI: |
InChI=1S/C12H24O2/c1-4-7-9-11(6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3 |
| InChIKey : |
USPADFUBVAGYOJ-UHFFFAOYAZ |
| Std.InChIKey: |
USPADFUBVAGYOJ-UHFFFAOYSA-N |
| SMILES : |
O=C(OCCCC)C(CCCC)CC |
| MDL: |
MFCD00059430 |
| Molar Refractivity : |
59.37 ± 0.3 cm3 (est) |
| Parachor : |
531.6 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.428 ± 0.02
(est) |
| Surface Tension : |
28.3 ± 3.0 dyne/cm (est) |
| Density : |
0.869 ± 0.06 g/cm3 (est) |
| Polarizability : |
23.53 ± 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 |
| Boiling Point: | 231.85 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.061000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 201.00 °F. TCC ( 94.00 °C. ) (est) |
| logP (o/w): | 4.705 (est) |
| Soluble in: |
| | water, 4.064 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: |
| information only not used for fragrances or flavors |
| Recommendation for butyl 2-ethyl hexanoate usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for butyl 2-ethyl hexanoate flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | butyl 2-ethylhexanoate |
| 2- | ethyl hexanoic acid butyl ester |
| 2- | ethyl hexanoic acid N-butyl ester |
| 2- | ethylhexanoic acid butyl ester |
| | hexanoic acid, 2-ethyl-, butyl ester |
