undec-10-enoic acid

• ChemBase ID: 102832
• Molecular Formular: C11H20O2
• Molecular Mass: 184.2753
• Monoisotopic Mass: 184.14632988
• SMILES: OC(=O)CCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCC(=O)O
• InChI: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
• InChIKey: FRPZMMHWLSIFAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-10-enoic acid
• IUPAC Traditional name: desenex
• Synonyms: 10-Undecenoic acid; UNDECYLENIC ACID; n-UNDECYLENIC ACID; Undecylenic acid; 10-Undecenoic acid; Undecylenic acid; undec-10-enoic acid; 十一烯酸; 10-十一烯酸; 10-十一烯酸; 十一烯酸

Database IDs

• CAS Number: 112-38-9
• EC Number: 203-965-8
• MDL Number: MFCD00004442
• Beilstein Number: 1762631
• Merck Index: 149848
• PubChem SID: 24901584; 24856513; 24889776; 162091203; 24847622
• PubChem CID: 5634
• CHEBI ID: 35045
• ATC CODE: D01AE04
• Chemspider ID: 10771160
• FEMA ID: 3247
• MeSH Name: Undecylenic+acid
• Unique Ingredient Identifier: K3D86KJ24N
• Wikipedia Title: Undecylenic_acid
• Color Index Number: 42650
• Council of Europe Number: 689
• Flavis Number: 8.039

CALCULATED PROPERTIES

• Acid pKa: 5.0211167
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1267557
• LogD (pH = 7.4): 1.3787246
• Log P: 3.7297513
• Molar Refractivity: 54.1227 cm^3
• Polarizability: 21.256922 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 22-25°C; 23-25 °C(lit.); 24.5 °C (76 °F); 24.5°C
• Boiling Point: 126-128°C/1mm; 137 °C/2 mmHg(lit.); 275 °C (527 °F); decomposes at 295 °C (563 °F); 275°C
• Flash Point: 149 °C; 160°C(320°F); 300.2 °F
• Density: 0.910; 0.910 (water = 1); 0.910 g/ml; 0.912 g/mL at 25 °C(lit.)
• Refractive Index: 1.4493; n20/D 1.449(lit.); n25/D 1.447-1.448
• Vapor Pressure: Not available at 25 °C, 10 mm Hg (1.33 kPa) at 160 °C
• Vapor Density: 6.35 (air = 1)
• Transition Temperature: solidification point ≥21 °C
• Organoleptic: woody; sweet

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: YQ2975000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38; 36/37/38-52/53
• Safety Statements: 26-37; 26-61
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H303; H315-H319-H335-H412
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ~98%; ≥95%; ≥97.0% (GC); 98%; 98-100.5%; 99%
• Grade: Halal; NI; puriss.; purum
• Suitability: corresponds for degree of unsaturation
• Ignition Residue: ≤0.1% (as SO4)
• Impurities: ≤0.001% heavy metals (as Pb); fats, mineral oils, complies; in water soluble matter, complies; residual solvents, complies
• Quality: meets analytical specification of Ph. Eur., BP, USP
• Iodine Value: 131-138
• Peroxide value: ≤10
• Linear Formula: CH2=CH(CH2)8COOH
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 05219709

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02103202

Free Acid
Purity: ~98%
Clear liquid, colorless to yellow
1 ml = approx. 0.91 g

Sigma Aldrich - 124672

Packaging
100, 500 mL in glass bottle

Sigma Aldrich - W324701

Packaging
1 kg in glass bottle
1 sample in glass bottle
10, 20 kg in poly drum