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| CAS No.: | 3913-81-3 |
|---|---|
| Name: | 3-Heptylacrolein |
| Article Data: | 46 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H18 O |
| Molecular Weight: | 154.252 |
| Synonyms: | 2-Decenal,(E)- (8CI); (2E)-2-Decenal; (E)-2-Decenal; 2(E)-Decenal; trans-2-Decen-1-al;trans-2-Decenal |
| EINECS: | 223-474-2 |
| Density: | 0.841 |
| Boiling Point: | 78-80 ºC (3 mmHg),230 °C at 760 mmHg |
| Flash Point: | 96 ºC |
| Solubility: | insoluble in water |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 
|
| Risk Codes: | R41;R43;R50/53 |
| Safety: | S26;S36/37/39;S60;S61 |
| Transport Information: | UN 3082 |
| PSA: | 17.07000 |
| LogP: | 3.10200 |
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Chemistry
Molecule structure of trans-2-Decenal (CAS NO.3913-81-3):
IUPAC Name: Dec-2-enal
Molecular Weight: 154.24932 [g/mol]
Molecular Formula: C10H18O
Index of Refraction: 1.439
Molar Refractivity: 48.62 cm3
Molar Volume: 184.5 cm3
Surface Tension: 28.4 dyne/cm
Storage temp.: 0-6°C
Water Solubility: insoluble
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
XLogP3-AA: 3.7
H-Bond Acceptor: 1
Rotatable Bond Count: 7
Exact Mass: 154.135765
MonoIsotopic Mass: 154.135765
Topological Polar Surface Area: 17.1
Heavy Atom Count: 11
Complexity: 105
Canonical SMILES: CCCCCCCC=CC=O
InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3
InChIKey: MMFCJPPRCYDLLZ-UHFFFAOYSA-N
EINECS: 223-474-2
Product Categories of trans-2-Decenal (CAS NO.3913-81-3): Alphabetical Listings; C-D; Flavors and Fragrances; Aldehydes; C10 to C21; Carbonyl Compounds
Safety Profile
Hazard Codes: 
Xi, 
N
Risk Statements: 41-43-50/53-36
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.
R36:Irritating to eyes.
Safety Statements: 26-36/37-60-61-36/37/39
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.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 3082 9/PG 3
WGK Germany: 3
RTECS: HE2070000
F: 10
Specification
trans-2-Decenal (CAS NO.3913-81-3) is also named as (E)-2-Decenal ; 2-Decenal, (2E)- ; 2-Decenal, (E)- ; 3-Heptylacrolein ; (2E)-dec-2-enal ; (2E)-2-Decenal ; (2E)-decena l ; (E)-dec-2-en-1-al ; (E)-Dec-2-enal ; Dec-2(E)-enal . It is clear colorless to light yellow liquid.