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Substance Name: 2H-Pyran-2-one, 4,6-dimethyl-
RN: 675-09-2
InChIKey: IXYLIUKQQQXXON-UHFFFAOYSA-N
Molecular Formula
- C7-H8-O2
Molecular Weight
- 124.138
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- Registry Numbers
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- Toxicity
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Names and Synonyms
Synonyms
- 2,4-Dimethyl-alpha-pyrone
- 4,6-Dimethyl-2-pyrone
- 4,6-Dimethyl-alpha-pyrone
- 4,6-Dimethylcoumalin
- 5-17-09-00409 (Beilstein Handbook Reference)
- BRN 0002468
- EINECS 211-618-7
- Mesitene lactone
- NSC 402790
Systematic Names
- 2H-Pyran-2-one, 4,6-dimethyl-
- 4,6-Dimethyl-2H-pyran-2-one
Registry Numbers
CAS Registry Number
- 675-09-2
System Generated Number
- 0000675092
Structure Descriptors
InChI
1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3InChIKey
IXYLIUKQQQXXON-UHFFFAOYSA-NSmiles
c1(cc(oc(c1)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 750mg/kg (750mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 2, Pg. 109, 1946. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 51.5 | deg C | EXP | |
| Boiling Point | 245 | deg C | EXP | |
| log P (octanol-water) | 0.850 | (none) | EST | |
| Atmospheric OH Rate Constant | 9.13E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.