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Undecanal

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Name

Undecanal

EINECS 203-972-6
CAS No. 112-44-7 Density 0.825
PSA 17.07000 LogP 3.71610
Solubility Soluble in dipropylene glycol, fixed oils, propylene glycol and water (14.27 mg/L at 25°C) Melting Point -2oC
Formula C11H22 O Boiling Point 226.1°Cat760mmHg
Molecular Weight 170.295 Flash Point 96.1°C
Transport Information N/A Appearance clear colorless to pale yellow liquid
Safety 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. Risk Codes R36/37/38   
Molecular Structure Molecular Structure of 112-44-7 (Undecanal) Hazard Symbols
Synonyms

1-Undecanal;Hendecanal; Hendecanaldehyde; NSC 22578; Undecanaldehyde; Undecanylaldehyde;Undecyl aldehyde; Undecylic aldehyde; n-Undecanal; n-Undecyl aldehyde; a-Undecanone

Article Data 225

Undecanal Chemical Properties

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

Undecanal Toxicity Data With Reference

1.    

skn-rbt 500 mg MLD

    FCTXAV    Food and Cosmetics Toxicology. 11 (1973),1079.
2.    

orl-rat LD50:>5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 11 (1973),81.
3.    

skn-rbt LD50:>5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 11 (1973),81.

Undecanal Consensus Reports

Reported in EPA TSCA Inventory.

Undecanal Safety Profile

Safety Information of Undecanal (CAS NO.112-44-7):
Hazard Codes: Xi Irritant
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 Specification

  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.

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