1-oxaspiro(4,5)decan-2-one
fragrance agents
| 2D: |
 |
| 3D: |
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| CAS Number: |
699-61-6
|
| FDA UNII: |
Search |
| Category: |
fragrance agents |
| IUPAC Name: |
1-oxaspiro(4,5)decan-2-one |
| InChI : |
InChI=1/C9H14O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-7H2 |
| Std.InChI: |
InChI=1S/C9H14O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-7H2 |
| InChIKey : |
QYNYVJFXPJUEMW-UHFFFAOYAS |
| Std.InChIKey: |
QYNYVJFXPJUEMW-UHFFFAOYSA-N |
| SMILES : |
O=C2OC1(CCCCC1)CC2 |
| Molar Refractivity : |
41.49 ± 0.4 cm3 (est) |
| Parachor : |
353.2 ± 6.0 cm3 (est) |
| Index of Refraction : |
1.488 ± 0.03
(est) |
| Surface Tension : |
36.4 ± 5.0 dyne/cm (est) |
| Density : |
1.07 ± 0.1 g/cm3 (est) |
| Polarizability : |
16.45 ± 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: | 260.48 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.012000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 217.00 °F. TCC ( 102.70 °C. ) (est) |
| logP (o/w): | 1.347 (est) |
| Soluble in: |
| | water, 1647 mg/L @ 25 °C (est) |
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: |
intravenous-rat LD50 90 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 243, 1960.
|
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | cyclohexane-1-spiro-4-butyrolactone |
| 1-oxa | spiro[4.5]decan-2-one |
