8.00758

2-Ethylhexanoic acid

for synthesis

• Synonym(s): 2-Ethylhexanoic acid, 3-Heptanecarboxylic acid, α-Ethylcaproic acid
• Empirical Formula (Hill Notation): C₈H₁₆O₂
• CAS Number: 149-57-5
• Molecular Weight: 144.21
• MDL number: MFCD00002675
• UNSPSC Code: 12352106
• EC Index Number: 205-743-6
• NACRES: NA.22

Properties

• vapor pressure: 0.04 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 310 °C
• potency: 3640 mg/kg LD₅₀, oral (Rat); >2000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 0.9-6.7 % (v/v)
• pH: 3 (20 °C, 1.4 g/L in H₂O)
• bp: 226-229 °C/1013 hPa
• mp: -59 °C
• transition temp: flash point 114 °C
• solubility: 1.4 g/L
• density: 0.91 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: OC(=O)C(CCCC)CC
• InChI: 1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
• InChI key: OBETXYAYXDNJHR-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.905 - 0.907
Identity (IR): passes test

Safety Information

• Pictograms: GHS08
• Signal Word: Danger
• Hazard Statements: H360D
• Precautionary Statements: P201 - P202 - P280 - P308 + P313 - P405 - P501
• Hazard Classifications: Repr. 1B
• Storage Class Code: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 1
• Flash Point(F): 237.2 °F - closed cup
• Flash Point(C): 114 °C - closed cup