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| Name |
5-Ethyl-3-nonen-2-one |
EINECS | N/A |
| CAS No. | 10137-90-3 | Density | 0.836g/cm3 |
| PSA | 17.07000 | LogP | 3.34800 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H20 O | Boiling Point | 236.5°C at 760 mmHg |
| Molecular Weight | 168.279 | Flash Point | 104.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mildly toxic by ingestion and skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Ethyl-3-nonen-2-one |
5-Ethyl-3-nonen-2-one Chemical Properties
Molecule structure of 5-Ethyl-3-nonen-2-one (CAS NO.10137-90-3) :
IUPAC Name: (E)-5-ethylnon-3-en-2-one
Molecular Weight: 168.2759 g/mol
Molecular Formula: C11H20O
Density: 0.836 g/cm3
Boiling Point: 236.5 °C at 760 mmHg
Flash Point: 104.1 °C
EINECS: 233-379-8
Molar Volume: 201.2 cm3
Polarizability: 21.03*10-24 cm3
Surface Tension: 27.1 dyne/cm
Enthalpy of Vaporization: 47.33 kJ/mol
Vapour Pressure: 0.0473 mmHg at 25 °C
XLogP3-AA: 3.7
H-Bond Acceptor: 1
Rotatable Bond Count: 6
Tautomer Count: 5
Exact Mass: 168.151415
MonoIsotopic Mass: 168.151415
Topological Polar Surface Area: 17.1
Heavy Atom Count: 12
Complexity: 147
Undefined Atom StereoCenter Count: 1
Defined Bond StereoCenter Count: 1
Covalently-Bonded Unit Count: 1
Canonical SMILES: CCCCC(CC)C=CC(=O)C
Isomeric SMILES: CCCCC(CC)/C=C/C(=O)C
InChI: InChI=1S/C11H20O/c1-4-6-7-11(5-2)9-8-10(3)12/h8-9,11H,4-7H2,1-3H3/b9-8+
InChIKey of 5-Ethyl-3-nonen-2-one (CAS NO.10137-90-3) : SWBGUNASIKSCCO-CMDGGOBGSA-N
5-Ethyl-3-nonen-2-one Toxicity Data With Reference
| 1. | skn-rbt 10 mg/24H open MLD | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
| 2. | eye-rbt 500 mg open | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
| 3. | orl-rat LD50:8120 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. | ||
| 4. | skn-rbt LD50:8480 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61. |
5-Ethyl-3-nonen-2-one Safety Profile
Mildly toxic by ingestion and skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
5-Ethyl-3-nonen-2-one Specification
5-Ethyl-3-nonen-2-one (CAS NO.10137-90-3) is also called 5-ethylnon-3-en-2-one .
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