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| CAS No.: | 112-44-7 |
|---|---|
| Name: | Undecanal |
| Article Data: | 225 |
| Molecular Structure: | |
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|
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| Formula: | C11H22 O |
| Molecular Weight: | 170.295 |
| Synonyms: | 1-Undecanal;Hendecanal; Hendecanaldehyde; NSC 22578; Undecanaldehyde; Undecanylaldehyde;Undecyl aldehyde; Undecylic aldehyde; n-Undecanal; n-Undecyl aldehyde; a-Undecanone |
| EINECS: | 203-972-6 |
| Density: | 0.825 |
| Melting Point: | -2oC |
| Boiling Point: | 226.1°Cat760mmHg |
| Flash Point: | 96.1°C |
| Solubility: | Soluble in dipropylene glycol, fixed oils, propylene glycol and water (14.27 mg/L at 25°C) |
| Appearance: | clear colorless to pale yellow liquid |
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 |
| 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. |
| PSA: | 17.07000 |
| LogP: | 3.71610 |
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Chemistry
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
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
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.
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.