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Substance Name: 3-Hexen-2-one, 5-methyl-
RN: 5166-53-0
InChIKey: IYMKNYVCXUEFJE-SNAWJCMRSA-N
Molecular Formula
- C7-H12-O
Molecular Weight
- 112.171
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Names and Synonyms
Synonyms
- 2-Oxo-5-methylhex-3-ene
- 3-01-00-03005 (Beilstein Handbook Reference)
- 3-Hexen-2-one, 5-methyl-
- 5-Methyl-3-hexen-2-one
- AI3-22171
- BRN 1720101
- EINECS 225-950-5
- FEMA No. 3409
Systematic Names
- 3-Hexen-2-one, 5-methyl-
- 5-Methylhex-3-en-2-one
Superlist Name
- 5-Methyl-3-hexen-2-one
Registry Numbers
CAS Registry Number
- 5166-53-0
System Generated Number
- 0005166530
Structure Descriptors
InChI
InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+InChIKey
IYMKNYVCXUEFJE-SNAWJCMRSA-NSmiles
CC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 450uL/kg (0.45mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| rat | LCLo | inhalation | 500ppm/4H (500ppm) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| rat | LD50 | oral | 1680uL/kg (1.68mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. |