Product Name

  • Name

    3-Heptylacrolein

  • EINECS 223-474-2
  • CAS No. 3913-81-3
  • Article Data46
  • CAS DataBase
  • Density 0.841
  • Solubility insoluble in water
  • Melting Point
  • Formula C10H18 O
  • Boiling Point 78-80 ºC (3 mmHg),230 °C at 760 mmHg
  • Molecular Weight 154.252
  • Flash Point 96 ºC
  • Transport Information UN 3082
  • Appearance clear colorless to light yellow liquid
  • Safety S26;S36/37/39;S60;S61
  • Risk Codes R41;R43;R50/53   
  • Molecular Structure Molecular Structure of 3913-81-3 (3-Heptylacrolein)
  • Hazard Symbols
  • Synonyms 2-Decenal,(E)- (8CI); (2E)-2-Decenal; (E)-2-Decenal; 2(E)-Decenal; trans-2-Decen-1-al;trans-2-Decenal
  • PSA 17.07000
  • LogP 3.10200

trans-2-Decenal Chemical Properties

Molecule structure of trans-2-Decenal (CAS NO.3913-81-3):

IUPAC Name: Dec-2-enal
Molecular Weight: 154.24932 [g/mol]
Molecular Formula: C10H18
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

trans-2-Decenal Safety Profile

Hazard Codes: IrritantXi, DangerousN
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

trans-2-Decenal 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.

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