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| CAS No.: | 3913-71-1 |
|---|---|
| Name: | TRANS-2-DECENAL |
| Article Data: | 11 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H18 O |
| Molecular Weight: | 154.252 |
| Synonyms: | NSC 20747 |
| Density: | 0.841 g/mL at 25oC(lit.) |
| Melting Point: | -16°C (estimate) |
| Boiling Point: | 78-80oC3 mm Hg(lit.) |
| Flash Point: | 205 °F |
| Hazard Symbols: |
 Xi, N
|
| Risk Codes: | R41; R43; R50/53 |
| Safety: | Moderately toxic by skin contact. Mildly toxic by ingestion. A severe skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ALDEHYDES. |
| PSA: | 17.07000 |
| LogP: | 3.10200 |
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Chemistry
Molecular Structure of 2-Decenal (CAS NO.3913-71-1):
EINECS: 223-474-2
IUPAC Name: Dec-2-enal
Molecular Formula: C10H18O
Molecular Weight: 154.249320 g/mol
XLogP3-AA: 3.7
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: CCCCCCCC=CC=O
Isomeric SMILES: CCCCCCC/C=C\C=O
InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8-
InChIKey: MMFCJPPRCYDLLZ-HJWRWDBZSA-N
Index of Refraction: 1.439
Molar Refractivity: 48.62 cm3
Molar Volume: 184.5 cm3
Surface Tension: 28.4 dyne/cm
Density: 0.835 g/cm3
Flash Point: 96.1 °C
Enthalpy of Vaporization: 46.66 kJ/mol
Boiling Point: 230 °C at 760 mmHg
Vapour Pressure: 0.0674 mmHg at 25 °C
Water Solubility: 67.82 mg/L at 25 °C
Refractive Index: n20/D 1.453(lit.)
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H SEV | FCTXAV Food and Cosmetics Toxicology. 17 (1979),761. | ||
| 2. | orl-rat LD50:5000 mg/kg | FCTXAV Food and Cosmetics Toxicology. 17 (1979),761. | ||
| 3. | skn-rbt LD50:3400 mg/kg | FCTXAV Food and Cosmetics Toxicology. 17 (1979),761. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 2-Decenal (CAS NO.3913-71-1):
Hazard Codes: Xi 
,N 
Risk Statements: 41-43-50/53
R41:Risk of serious damage to the eyes
R43:May cause sensitization by skin contact
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 26-36/37-60-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37:Wear suitable protective clothing and gloves
S60:This material and its container must be disposed of as hazardous waste
S61:Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR: UN 3082 9/PG 3
WGK Germany: 3
F: 10
Moderately toxic by skin contact. Mildly toxic by ingestion. A severe skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ALDEHYDES.
Specification
2-Decenal is colorless to slight yellow clear liquid with pungent odor, soluble in alcohol. It is incompatible with strong oxidizing agents, strong bases. When heated to decomposition, it yields Carbon monoxide , Carbon dioxide . 2-Decenal with CAS registry number of 3913-71-1 is also known as 2-Decen-1-al ; 3-Heptylacrolein ; AI3-36267 ; Decenaldehyde ; Decylenic aldehyde ; FEMA No. 2366 ; NSC 20747 ; Decenaldehyde . It can be used in daily fruit aroma essence and flavor. 2-Decenal can be obtained by reaction of n-Octyl aldehyde with Vinyl ether under the catalyst of Boron trioxide .