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| CAS No.: | 2277-19-2 |
|---|---|
| Name: | CIS-6-NONENAL |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H16 O |
| Molecular Weight: | 140.225 |
| Synonyms: | 6-Nonenal,(Z)- (8CI); (Z)-6-Nonenal; 6-Nonenal, cis-; cis-6-Nonenal |
| Density: | 0.834g/cm3 |
| Melting Point: | -28°C (estimate) |
| Boiling Point: | 194.1°Cat760mmHg |
| Flash Point: | 65.1°C |
| Solubility: | Not miscible or difficult to mix in water. Soluble in alcohol. |
| Appearance: | clear colorless to pale yellow liquid |
| Hazard Symbols: |
|
| Risk Codes: | 36/37/38 |
| Safety: | Low toxicity by ingestion and skin contact. A skin irritant. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 17.07000 |
| LogP: | 2.71190 |
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Chemistry
Molecule structure of 6-Nonenal, (Z)- (CAS NO.2277-19-2) :
IUPAC Name: (E)-non-6-enal
Molecular Weight: 140.22274 g/mol
Molecular Formula: C9H16O
Density: 0.834 g/cm3
Boiling Point: 194.1 °C at 760 mmHg
Flash Point: 65.1 °C
Refractive index: n20/D 1.442(lit.)
Appreance: clear colorless to pale yellow liquid
BRN: 2323664
Molar Volume: 168 cm3
Polarizability: 17.43*10-24 cm3
Surface Tension: 27.9 dyne/cm
Enthalpy of Vaporization: 43.03 kJ/mol
Vapour Pressure: 0.449 mmHg at 25 °C
XLogP3-AA: 2.3
H-Bond Acceptor: 1
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 140.120115
MonoIsotopic Mass: 140.120115
Topological Polar Surface Area: 17.1
Heavy Atom Count: 10
Complexity: 94.9
Canonical SMILES: CCC=CCCCCC=O
Isomeric SMILES: CC/C=C/CCCCC=O
InChI: InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,9H,2,5-8H2,1H3/b4-3+
InChIKey: RTNPCOBSXBGDMO-ONEGZZNKSA-N
EINECS: 218-900-9
Product Categories: Alphabetical Listings; Flavors and Fragrances; M-N
Toxicity Data With Reference
| 1. | skn-gpg 100%/24H MLD | FCTOD7 Food and Chemical Toxicology. 20 (1982),777. | ||
| 2. | orl-mus LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),777. | ||
| 3. | skn-gpg LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),777. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Low toxicity by ingestion and skin contact. A skin irritant. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 2
RTECS: RA8509200
Specification
6-Nonenal, (Z)- (CAS NO.2277-19-2) is also called (6Z)-6-Nonenal ; (Z)-6-Nonenal ;(Z)-non-6-enal ; 6-cis-Nonenal ; 6-Nonenal, cis-; FEMA 3580. 6-Nonenal, (Z)- (CAS NO.2277-19-2) is sensitive to air.