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Substance Name: Methylheptenone
RN: 110-93-0
UNII: 448353S93V
InChIKey: UHEPJGULSIKKTP-UHFFFAOYSA-N
Note
- A human odorant recognized by the mosquito odorant receptor AaegOr4.
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C8-H14-O
Molecular Weight
- 126.1976
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Methylheptenone
Synonyms
- 2-Methyl-2-hepten-6-one
- 2-Methyl-6-oxo-2-heptene
- 2-Oxo-6-methylhept-5-ene
- 4-01-00-03493 (Beilstein Handbook Reference)
- 6-Methyl-5-hepten-2-one
- 6-Methyl-5-hepten-2-one (natural)
- AI3-05639
- BRN 1741705
- EC 203-816-7
- EINECS 203-816-7
- FEMA No. 2707
- NSC 15294
- Sulcatone
- UNII-448353S93V
Systematic Names
- 5-Hepten-2-one, 6-methyl-
- 6-Methylhept-5-en-2-one
Superlist Name
- Methyl heptenone
Registry Numbers
CAS Registry Number
- 110-93-0
FDA UNII
- 448353S93V
Other Registry Number
- 129085-68-3
System Generated Number
- 0000110930
Structure Descriptors
InChI
InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3InChIKey
UHEPJGULSIKKTP-UHFFFAOYSA-NSmiles
CC(=CCCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2410mg/kg (2410mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: MUSCLE WEAKNESS | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(8), Pg. 52, 1988. |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 859, 1975. | |
| rat | LD50 | oral | 3500mg/kg (3500mg/kg) | Medizin und Ernaehrung. Vol. 8, Pg. 244, 1967. | |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 859, 1975. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 173.5 | deg C | EXP | |
| log P (octanol-water) | 2.060 | (none) | EST | |
| Atmospheric OH Rate Constant | 1.57E-10 | cm3/molecule-sec | 23 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.