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Undecanoic acid

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Undecanoic acid

EINECS 203-964-2
CAS No. 112-37-8 Density 0.909 g/cm3
PSA 37.30000 LogP 3.60180
Solubility insoluble in water Melting Point 28-31 °C(lit.)
Formula C11H22O2 Boiling Point 283.3 °C at 760 mmHg
Molecular Weight 186.294 Flash Point 128.2 °C
Transport Information N/A Appearance white to pale yellowish low melting solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 112-37-8 (Undecanoic acid) Hazard Symbols IrritantXi
Synonyms

1-Decanecarboxylicacid;Hendecanoic acid;NSC 7885;Undecylic acid;n-Undecanoic acid;n-Undecoicacid;n-Undecylic acid;

Article Data 165

Undecanoic acid Consensus Reports

Reported in EPA TSCA Inventory.

Undecanoic acid Specification

The Undecanoic acid is an organic compound with the formula C11H22O2. The IUPAC name of this chemical is undecanoic acid. With the CAS registry number 112-37-8, it is also named as 1-Decanecarboxylate. The product's categories are Alkylcarboxylic Acids; Monofunctional & alpha, omega-Bifunctional Alkanes; Monofunctional Alkanes. Besides, it is a white to pale yellowish low melting solid, which should be stored in a cool and dry place. It is the intermediate of liquid crystals.

Physical properties about Undecanoic acid are: (1)ACD/LogP: 4.50; (2)ACD/LogD (pH 5.5): 3.71; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 249.88; (5)ACD/BCF (pH 7.4): 4.02; (6)ACD/KOC (pH 5.5): 1080.03; (7)ACD/KOC (pH 7.4): 17.35; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 54.57 cm3; (14)Molar Volume: 204.7 cm3; (15)Polarizability: 21.63×10-24cm3; (16)Surface Tension: 33.2 dyne/cm; (17)Density: 0.909 g/cm3; (18)Flash Point: 128.2 °C; (19)Enthalpy of Vaporization: 55.15 kJ/mol; (20)Boiling Point: 283.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00151 mmHg at 25°C.

Preparation: this chemical can be prepared by undecanal. This reaction will need reagent sodium dichromate dihydrate/sulfuric acid and solvent H2O, diethyl ether. The yield is about 37.7%.



Uses of Undecanoic acid: it can be used to produce dodecan-2-one at room temperature. It will need reagent diethyl ether with reaction time of 1 hour. The yield is about 58%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCC
(2)InChI: InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
(3)InChIKey: ZDPHROOEEOARMN-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
(5)Std. InChIKey: ZDPHROOEEOARMN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 140mg/kg (140mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.

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