W355305
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W355305
Aldrich
Isophorone
≥97%
| Synonym: | 3,5,5-Trimethyl-2-cyclohexen-1-one |
| CAS Number: | 78-59-1 |
| Linear Formula: | C9H14O |
| Molecular Weight: | 138.21 |
| FEMA Number: | 3553 |
| Beilstein Registry Number: | 1280721 |
| EC Number: | 201-126-0 |
| Council of Europe no.: | 4011 |
| MDL number: | MFCD00001584 |
| PubChem Substance ID: | 24901777 |
| Flavis number: | 7.126 |
Description
| Biochem/physiol Actions | Odor at 1.0% |
| Taste at 30 ppm | |
| Other Notes | Natural occurrence: Burley tobacco, cranberry, macadamia nuts, peas, roasted filbert, saffron, wine and osmanthus. |
| F&F Certificates | GMO Statement |
| Continuing Guarantee Statement | |
| US Natural Certificate | |
| Allergen Statement | |
| EU Natural Certificate | |
| HALAL Statement |
Properties
| grade | NI |
| vapor density | 4.77 (vs air) |
| vapor pressure | 0.2 mmHg ( 20 °C) |
| assay | ≥97% |
| autoignition temp. | 864 °F |
| expl. lim. | 3.8 % |
| refractive index | n |
| bp | 213-214 °C(lit.) |
| mp | −8 °C(lit.) |
| density | 0.923 g/mL at 25 °C(lit.) |
| Organoleptic | berry; nutty; herbaceous; woody; citrus; sweet; wine-like; vegetable; green; waxy; tobacco; camphoraceous |
Safety
| Hazard Codes | Xn |
| Risk Statements | 21/22-36/37-40 |
| Safety Statements | 13-23-36/37/39-46 |
| WGK Germany | 1 |
| RTECS | GW7700000 |
| UEL | 3.80% |
| LEL | 0.80% |
| Flash Point(F) | 205 °F |
| Flash Point(C) | 96 °C |
References
| reference | Mosciano, G., Organoleptic Characteristics of Flavor Materials P & F 4th ed., 30, 54, (2005) |
| Merck | Merck 13,5215 |
| Beilstein | Beil. 7,IV,165 |
| Aldrich MSDS 1, 1115:B / Arctander, 2611 / Corp MSDS 1 (1), 2027:C / FT-IR 1 (1), 488:C / FT-IR 2 (1), 696:C / FT-IR 1 (1), 448:C / FT-NMR 1 (1), 693:A / Fenaroli (407) / IR-Spectra (2), 236:G / IR-Spectra (3), 265:B / NMR-Reference 2 (1), 412:D / RegBook 11 (1), 481:I / RegBook 1 (1), 481:I / Sax 6, 1629 / Sigma FT-IR 1 (2), 669:B / Structure Index 1, 69:B:2 / Vapor Phase 3, 537:D |
