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| CAS No.: | 5435-64-3 |
|---|---|
| Name: | 3,5,5-TRIMETHYLHEXANAL |
| Article Data: | 13 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H18 O |
| Molecular Weight: | 142.241 |
| Synonyms: | 3,5,5-Trimethylcapronaldehyde;3,5,5-Trimethylhexanal; NSC 21482 |
| Density: | 0.813g/cm3 |
| Melting Point: | -18°C (estimate) |
| Boiling Point: | 216.5°Cat760mmHg |
| Flash Point: | 46.7°C |
| Solubility: | 100mg/L at 20℃ |
| Hazard Symbols: | Xi,Xn |
| Risk Codes: | 10-36/37/38-65-52/53-43-36/38 |
| Safety: | Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 17.07000 |
| LogP: | 2.64770 |
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Chemistry
Product Name: 3,5,5-Trimethylhexanal (CAS NO.5435-64-3)
Molecular Formula: C9H18O
Molecular Weight: 142.24g/mol
Mol File: 5435-64-3.mol
Einecs: 226-603-0
Appearance: Colorless liquid
Boiling point: 216.5 °C at 760 mmHg
Flash Point: 46.7 °C
Density: 0.817 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.421(lit.)
Surface Tension: 25.1 dyne/cm
Enthalpy of Vaporization: 45.29 kJ/mol
Vapour Pressure: 0.14 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 1
Product Categories: Alphabetical Listings; Flavors and Fragrances; Q-Z;Aldehydes; C9; Carbonyl Compounds
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTOD7 Food and Chemical Toxicology. 20 (1982),841. | ||
| 2. | orl-rat LD50:3240 mg/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),841. | ||
| 3. | skn-rbt LD50:>2500 mg/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),841. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information of 3,5,5-Trimethylhexanal (CAS NO.5435-64-3):
Hazard Codes: Xi.gif){kind=small}
Risk Statements: 10-36/37/38
10: Flammable
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 16-26-36/37/39
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
Specification
3,5,5-Trimethylhexanal ,its CAS NO. is 5435-64-3,the synonyms is 3,5,5-Trimethyl n-hexanal ; 3,5,5-Trimethylcapronaldehyde ; 3,5,5-Trimethyl-hexana ; hexanal,3,5,5-trimethyl- ; Isonylaldehyde ; Tert-butylisopentanal ; Fema 3524 ; Isononyl aldehyde .