dodecanoic acid

• ChemBase ID: 102242
• Molecular Formular: C12H24O2
• Molecular Mass: 200.31776
• Monoisotopic Mass: 200.17763001
• SMILES: CCCCCCCCCCCC(=O)O
• Canonical SMILES: CCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
• InChIKey: POULHZVOKOAJMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecanoic acid
• IUPAC Traditional name: lauric acid
• Synonyms: ABL; Lauric acid; Lauric acid; Dodecanoic acid; LAURIC ACID; n-DODECANOIC ACID; Dodecanoic acid; n-Dodecanoic acid; Dodecylic acid; Dodecoic acid; Laurostearic acid; Vulvic acid; 1-Undecanecarboxylic acid; Duodecylic acidC12:0 (Lipid numbers); 十二烷酸; 月桂酸; 正十二烷酸; 月桂酸; 十二烷酸

Database IDs

• CAS Number: 143-07-7
• EC Number: 205-582-1
• MDL Number: MFCD00002736
• Beilstein Number: 1099477
• Merck Index: 145384
• PubChem SID: 24896365; 24874804; 24901204; 162088388; 24901205; 24896407
• PubChem CID: 3893
• CHEMBL: 108766
• Chemspider ID: 3756
• FEMA ID: 2614
• Wikipedia Title: Lauric_acid
• Council of Europe Number: 12; 12c
• Flavis Number: 8.012

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8225026
• LogD (pH = 7.4): 2.0633676
• Log P: 4.478308
• Molar Refractivity: 58.6796 cm^3
• Polarizability: 23.339931 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.006 g/100 mL (20 °C) in water
• Apperance: Crystalline; white powder
• Melting Point: 43.2 °C; 43-45°C; 43-46 °C; 44 °C (112 °F); 44°C; 44-46 °C(lit.)
• Boiling Point: 180°C/21mm; 225 °C/100 mmHg(lit.); 298.9 °C; 299 °C (570 °F); 299°C
• Flash Point: >113 °C; >235.4 °F; ≥ 110 °C; 165°C(329°F)
• Density: 0.880 g/cm^3; 0.883; 0.883 (water = 1); 0.883 g/ml; 0.883 g/mL at 25 °C(lit.)
• Refractive Index: 1.423
• Vapor Pressure: 1 mmHg ( 121 °C); 50 mmHg ( 210 °C); Very low at 25 °C, 1 mm Hg (0.133 kPa) at 121 °C
• Viscosity: 7.30 mPa·s at 323 K
• Odor: slight odor of bay oil
• Organoleptic: fatty

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: OE9800000
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36; R:40-36/37/38
• Safety Statements: 26; S:28-29-36/37/39-45-53
• TSCA Listed: 是
• GHS Pictograms: GHS07
• NFPA704:
  

  1

  1

  1
• GHS Hazard statements: H319; H412
• GHS Precautionary statements: P273; P280-P264-P305+P351+P338-P337+P313
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.210); FDA 21 CFR (172.860); FDA 21 CFR (173.340)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥95%; ≥99%; ≥96.0% (GC); ≥98%; ≥99% (GC/titration); ≥99.0% (GC); ≥99.5% (GC); 98%; 99.5%; typically 99.5%
• Grade: analytical standard; FG; Halal; Kosher; natural; NI; puriss.; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)10COOH

DETAILS

MP Biomedicals - 05225139

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02102142

Purity: 95+%

MP Biomedicals - 02100784

Purity: 99+%
Crystalline

Sigma Aldrich - L4250

Biochem/physiol Actions
CYP 4A11 的底物

Sigma Aldrich - L556

Packaging
1 kg in poly bottle
25 g in poly bottle
3 kg in poly drum

Sigma Aldrich - W261408

Packaging
1 kg in poly bottle
5 kg in poly drum
1 sample in glass bottle
10, 25 kg in fiber drum

Sigma Aldrich - W261416

Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in poly drum

Sigma Aldrich - 61610

Biochem/physiol Actions
Substrate for CYP 4A11

Sigma Aldrich - 61620

Biochem/physiol Actions
Substrate for CYP 4A11

Sigma Aldrich - 61609

Biochem/physiol Actions
Substrate for CYP 4A11