Undecanal

Molecular Structure of Undecanal (CAS NO.112-44-7):

EINECS: 203-972-6
IUPAC Name: Undecanal 
Molecular Formula: C₁₁H₂₂O
Molecular Weight: 170.291780 g/mol
XLogP3-AA: 4.3
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: CCCCCCCCCCC=O
InChI: InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
InChIKey: KMPQYAYAQWNLME-UHFFFAOYSA-N
Index of Refraction: 1.426
Molar Refractivity: 53.19 cm³
Molar Volume: 207.4 cm³
Surface Tension: 28.3 dyne/cm
Density: 0.82 g/cm³
Flash Point: 96.1 °C
Enthalpy of Vaporization: 46.27 kJ/mol
Boiling Point: 226.1 °C at 760 mmHg
Vapour Pressure: 0.0832 mmHg at 25 °C
Melting Point: -2 °C(lit.)
Water Solubility: 14.27 mg/L at 25 °C
Refractive Index: n20/D 1.4322(lit.)
BRN: 1753213

Reported in EPA TSCA Inventory.

Safety Information of Undecanal (CAS NO.112-44-7):
Hazard Codes: Xi 
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 1
RTECS: YQ1500000
Low toxicity by ingestion and skin contact. A skin irritant. Combustible liquid when exposed to heat or flame. To fight fire, use CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.

  Undecanal with CAS Registry Number of 112-44-7 is clear colorless to pale yellow liquid. It is incompatible with strong oxidizing agents, strong reducing agents, strong bases. When heated to decomposition, it yields Carbon monoxide , irritating and toxic fumes and gases, Carbon dioxide . Undecanal is also known as 1-Undecanal ; 4-01-00-03374 (Beilstein Handbook Reference) ; AI3-05098 ; Aldehyde C-11 ; Aldehyde C-11, undecylic ; C-11 aldehyde, undecylic ; C11 aldehyde ; FEMA No. 3092 ; Hendecanal ; Hendecanaldehyde ; NSC 22578 ; Undecanal (natural) ; Undecanaldehyde ; Undecanone, alpha- ; Undecyl aldehyde ; Undecylaldehyde ; Undecylic aldehyde ; n-Undecanal ; n-Undecyl aldehyde . It is used as food spice according to the provisions of GB 2760 - 1996 and also used as a floral fragrance pump variable swap in cosmetics, soap flavor.