ethyl heptine carbonate
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
|
| CAS Number: |
10519-20-7
|
| ECHA EC Number: |
234-058-5 |
| FDA UNII: |
XTH780U0N3 |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
ethyl heptine carbonate |
| InChI : |
InChI=1/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3 |
| Std.InChI: |
InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3 |
| InChIKey : |
QPMDWYXUSMRVKT-UHFFFAOYAV |
| Std.InChIKey: |
QPMDWYXUSMRVKT-UHFFFAOYSA-N |
| SMILES : |
CCCCCC#CC(=O)OCC |
| MDL: |
MFCD00015286 |
| Molar Refractivity : |
48.15 ± 0.3 cm3 (est) |
| Parachor : |
432.8 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.446 ± 0.02 (est) |
| Surface Tension : |
33.1 ± 3.0 dyne/cm (est) |
| Density : |
0.932 ± 0.06 g/cm3 (est) |
| Polarizability : |
19.09 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 115.00 °C. @ 16.00 mm Hg |
| Boiling Point: | 244.00 to 245.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.031000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 209.00 °F. TCC ( 98.10 °C. ) (est) |
| logP (o/w): | 3.729 (est) |
| Soluble in: |
| | alcohol |
| | water, 142.5 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
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 |
| IFRA Critical Effect: |
| Insufficient data |
| | View the IFRA Standard |
| Recommendation for ethyl heptine carbonate usage levels up to: |
| | PROHIBITED: Should not be used as a fragrance ingredient. |
| |
| Recommendation for ethyl heptine carbonate flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | ethyl 2-octynate |
| | ethyl 2-octynoate |
| | ethyl heptyne carbonate |
| | ethyl oct-2-ynoate |
| | ethyloct-2-ynoate |
| 2- | octynoic acid ethyl ester |
| 2- | octynoic acid, ethyl ester |
